N'-hexan-3-yl-N-(4-methylcyclohexyl)propane-1,3-diamine

C16H34N2 — CID 143378575

IUPACN'-hexan-3-yl-N-(4-methylcyclohexyl)propane-1,3-diamine
SMILESCCCC(CC)NCCCNC1CCC(C)CC1
InChIInChI=1S/C16H34N2/c1-4-7-15(5-2)17-12-6-13-18-16-10-8-14(3)9-11-16/h14-18H,4-13H2,1-3H3
InChIKeyBEIKUGHVRVBCSA-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.71
Rot. Bonds9

About N'-hexan-3-yl-N-(4-methylcyclohexyl)propane-1,3-diamine

N'-hexan-3-yl-N-(4-methylcyclohexyl)propane-1,3-diamine (PubChem CID 143378575) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N'-hexan-3-yl-N-(4-methylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-hexan-3-yl-N-(4-methylcyclohexyl)propane-1,3-diamine
PubChem CID143378575
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN'-hexan-3-yl-N-(4-methylcyclohexyl)propane-1,3-diamine
SMILESCCCC(CC)NCCCNC1CCC(C)CC1
InChIInChI=1S/C16H34N2/c1-4-7-15(5-2)17-12-6-13-18-16-10-8-14(3)9-11-16/h14-18H,4-13H2,1-3H3
InChIKeyBEIKUGHVRVBCSA-UHFFFAOYSA-N
XLogP3.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-aminoethyl)cyclohexyl]-N'-hexan-3-ylpropane-1,3-diamine
CID 143378355
N-(3-cyclopentylpropyl)hexan-3-amine
CID 106008928
N-hexan-3-ylhexan-1-amine
CID 62117591
N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine
CID 103920888
N-[2-(4-aminocyclohexyl)ethyl]-N'-hexan-3-ylpropane-1,3-diamine
CID 143882707
N-hexan-3-ylcyclopropanamine
CID 103920845
N-(4-methylhexyl)cyclopropanamine
CID 62529631
N-[3-(cyclopropylamino)propyl]-2-propylpentanamide
CID 82987984
N-butyl-N'-cyclopropylpropane-1,3-diamine
CID 61149641
5-[(4-methylcycloheptyl)amino]pentan-2-ol
CID 106121910
N-[[4-(aminomethyl)cyclohexyl]methyl]-N'-hexan-3-ylpropane-1,3-diamine;ethane;molecular hydrogen
CID 143882693
N-(2-butylsulfanylethyl)-4-methylcyclohexan-1-amine
CID 62578234

Frequently Asked Questions

What is the IUPAC name of N'-hexan-3-yl-N-(4-methylcyclohexyl)propane-1,3-diamine?
The IUPAC name of N'-hexan-3-yl-N-(4-methylcyclohexyl)propane-1,3-diamine (CID 143378575) is N'-hexan-3-yl-N-(4-methylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for N'-hexan-3-yl-N-(4-methylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for N'-hexan-3-yl-N-(4-methylcyclohexyl)propane-1,3-diamine is CCCC(CC)NCCCNC1CCC(C)CC1.
What is the InChIKey of N'-hexan-3-yl-N-(4-methylcyclohexyl)propane-1,3-diamine?
The InChIKey is BEIKUGHVRVBCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-4-7-15(5-2)17-12-6-13-18-16-10-8-14(3)9-11-16/h14-18H,4-13H2,1-3H3.
What are the key properties of N'-hexan-3-yl-N-(4-methylcyclohexyl)propane-1,3-diamine?
N'-hexan-3-yl-N-(4-methylcyclohexyl)propane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexan-3-yl-N-(4-methylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 143378575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).