1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine

C18H32N2 — CID 62412171

IUPAC1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine
SMILESCc1cccc(CN(C)C(C)CCCNC(C)(C)C)c1
InChIInChI=1S/C18H32N2/c1-15-9-7-11-17(13-15)14-20(6)16(2)10-8-12-19-18(3,4)5/h7,9,11,13,16,19H,8,10,12,14H2,1-6H3
InChIKeyDLEPPVBLBPSXKP-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.98
Rot. Bonds7

About 1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine

1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine (PubChem CID 62412171) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine
PubChem CID62412171
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine
SMILESCc1cccc(CN(C)C(C)CCCNC(C)(C)C)c1
InChIInChI=1S/C18H32N2/c1-15-9-7-11-17(13-15)14-20(6)16(2)10-8-12-19-18(3,4)5/h7,9,11,13,16,19H,8,10,12,14H2,1-6H3
InChIKeyDLEPPVBLBPSXKP-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine 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

1-N-tert-butyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 62421750
1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine
CID 62420435
1-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 62435403
N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
CID 62417355
1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 62421944
formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine
CID 143158010
1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine
CID 55072438
2-N-methyl-2-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 61414077
N'-tert-butyl-N-[3-(3-methylphenyl)propyl]ethane-1,2-diamine
CID 113405357
4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine
CID 62431547
1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62417488
1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine
CID 79414588

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine?
The IUPAC name of 1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine (CID 62412171) is 1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine?
The canonical SMILES for 1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine is Cc1cccc(CN(C)C(C)CCCNC(C)(C)C)c1.
What is the InChIKey of 1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine?
The InChIKey is DLEPPVBLBPSXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-15-9-7-11-17(13-15)14-20(6)16(2)10-8-12-19-18(3,4)5/h7,9,11,13,16,19H,8,10,12,14H2,1-6H3.
What are the key properties of 1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine?
1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 62412171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).