N-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane

C34H74N4 — CID 142586854

IUPACN-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane
SMILESCC.CCCCN(CCCC(C)C)CCCN1CCN(CCCN(CCCC(C)C)CCCC(C)C)CC1
InChIInChI=1S/C32H68N4.C2H6/c1-8-9-18-33(19-10-15-30(2)3)22-13-24-35-26-28-36(29-27-35)25-14-23-34(20-11-16-31(4)5)21-12-17-32(6)7;1-2/h30-32H,8-29H2,1-7H3;1-2H3
InChIKeyPSNQLBIRPBRFCX-UHFFFAOYSA-N
MW538.99 g/mol
LogP8.12
Rot. Bonds23

About N-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane

N-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane (PubChem CID 142586854) has the molecular formula C34H74N4 and a molecular weight of 538.99 g/mol. Its IUPAC name is N-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane.

Molecular Properties

Compound NameN-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane
PubChem CID142586854
Molecular FormulaC34H74N4
Molecular Weight538.99 g/mol
Exact Mass538.59
IUPAC NameN-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane
SMILESCC.CCCCN(CCCC(C)C)CCCN1CCN(CCCN(CCCC(C)C)CCCC(C)C)CC1
InChIInChI=1S/C32H68N4.C2H6/c1-8-9-18-33(19-10-15-30(2)3)22-13-24-35-26-28-36(29-27-35)25-14-23-34(20-11-16-31(4)5)21-12-17-32(6)7;1-2/h30-32H,8-29H2,1-7H3;1-2H3
InChIKeyPSNQLBIRPBRFCX-UHFFFAOYSA-N
XLogP8.12
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.99
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]butan-1-amine
CID 174846213
5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine
CID 15030040
4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine
CID 139723855
N,N-dibutyl-12-methyltridecan-1-amine
CID 139723221
N-(4-methylpentyl)-N-octyloctan-1-amine
CID 139723154
N,N-bis(4-methylpentyl)nonan-1-amine
CID 139723744
N,N-bis(4-methylpentyl)octadecan-1-amine
CID 139723718
N-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine
CID 63389180
N-(12-methyltridecyl)-N-octadecyloctadecan-1-amine
CID 139723792
N-hexadecyl-N-(8-methylnonyl)hexadecan-1-amine
CID 139723889
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane?
The IUPAC name of N-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane (CID 142586854) is N-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane.
What is the SMILES notation for N-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane?
The canonical SMILES for N-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane is CC.CCCCN(CCCC(C)C)CCCN1CCN(CCCN(CCCC(C)C)CCCC(C)C)CC1.
What is the InChIKey of N-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane?
The InChIKey is PSNQLBIRPBRFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H68N4.C2H6/c1-8-9-18-33(19-10-15-30(2)3)22-13-24-35-26-28-36(29-27-35)25-14-23-34(20-11-16-31(4)5)21-12-17-32(6)7;1-2/h30-32H,8-29H2,1-7H3;1-2H3.
What are the key properties of N-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane?
N-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane has a molecular weight of 538.99 g/mol, XLogP of 8.12, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-[bis(4-methylpentyl)amino]propyl]piperazin-1-yl]propyl]-N-butyl-4-methylpentan-1-amine;ethane is sourced from PubChem (CID 142586854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).