N,N,3-trimethyl-1-[propylamino(pyrazin-2-yl)methyl]cyclohexan-1-amine

C17H30N4 — CID 79063598

IUPACN,N,3-trimethyl-1-[propylamino(pyrazin-2-yl)methyl]cyclohexan-1-amine
SMILESCCCNC(c1cnccn1)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C17H30N4/c1-5-9-20-16(15-13-18-10-11-19-15)17(21(3)4)8-6-7-14(2)12-17/h10-11,13-14,16,20H,5-9,12H2,1-4H3
InChIKeyBHYLEHYJCMPDGT-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.03
Rot. Bonds6

About N,N,3-trimethyl-1-[propylamino(pyrazin-2-yl)methyl]cyclohexan-1-amine

N,N,3-trimethyl-1-[propylamino(pyrazin-2-yl)methyl]cyclohexan-1-amine (PubChem CID 79063598) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is N,N,3-trimethyl-1-[propylamino(pyrazin-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-1-[propylamino(pyrazin-2-yl)methyl]cyclohexan-1-amine
PubChem CID79063598
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC NameN,N,3-trimethyl-1-[propylamino(pyrazin-2-yl)methyl]cyclohexan-1-amine
SMILESCCCNC(c1cnccn1)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C17H30N4/c1-5-9-20-16(15-13-18-10-11-19-15)17(21(3)4)8-6-7-14(2)12-17/h10-11,13-14,16,20H,5-9,12H2,1-4H3
InChIKeyBHYLEHYJCMPDGT-UHFFFAOYSA-N
XLogP3.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-1-[propylamino(pyrazin-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N,N,3-trimethyl-1-[propylamino(pyrazin-2-yl)methyl]cyclohexan-1-amine (CID 79063598) is N,N,3-trimethyl-1-[propylamino(pyrazin-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,3-trimethyl-1-[propylamino(pyrazin-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N,N,3-trimethyl-1-[propylamino(pyrazin-2-yl)methyl]cyclohexan-1-amine is CCCNC(c1cnccn1)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of N,N,3-trimethyl-1-[propylamino(pyrazin-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is BHYLEHYJCMPDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-9-20-16(15-13-18-10-11-19-15)17(21(3)4)8-6-7-14(2)12-17/h10-11,13-14,16,20H,5-9,12H2,1-4H3.
What are the key properties of N,N,3-trimethyl-1-[propylamino(pyrazin-2-yl)methyl]cyclohexan-1-amine?
N,N,3-trimethyl-1-[propylamino(pyrazin-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-1-[propylamino(pyrazin-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79063598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).