N-[4-(2-aminoethyl)cyclohexyl]-N'-hexan-3-ylpropane-1,3-diamine

C17H37N3 — CID 143378355

IUPACN-[4-(2-aminoethyl)cyclohexyl]-N'-hexan-3-ylpropane-1,3-diamine
SMILESCCCC(CC)NCCCNC1CCC(CCN)CC1
InChIInChI=1S/C17H37N3/c1-3-6-16(4-2)19-13-5-14-20-17-9-7-15(8-10-17)11-12-18/h15-17,19-20H,3-14,18H2,1-2H3
InChIKeyPKUISYYEWIZQHH-UHFFFAOYSA-N
MW283.50 g/mol
LogP3.04
Rot. Bonds11

About N-[4-(2-aminoethyl)cyclohexyl]-N'-hexan-3-ylpropane-1,3-diamine

N-[4-(2-aminoethyl)cyclohexyl]-N'-hexan-3-ylpropane-1,3-diamine (PubChem CID 143378355) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)cyclohexyl]-N'-hexan-3-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)cyclohexyl]-N'-hexan-3-ylpropane-1,3-diamine
PubChem CID143378355
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN-[4-(2-aminoethyl)cyclohexyl]-N'-hexan-3-ylpropane-1,3-diamine
SMILESCCCC(CC)NCCCNC1CCC(CCN)CC1
InChIInChI=1S/C17H37N3/c1-3-6-16(4-2)19-13-5-14-20-17-9-7-15(8-10-17)11-12-18/h15-17,19-20H,3-14,18H2,1-2H3
InChIKeyPKUISYYEWIZQHH-UHFFFAOYSA-N
XLogP3.04
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-hexan-3-yl-N-(4-methylcyclohexyl)propane-1,3-diamine
CID 143378575
N-[2-(4-aminocyclohexyl)ethyl]-N'-hexan-3-ylpropane-1,3-diamine
CID 143882707
N-(3-cyclopentylpropyl)hexan-3-amine
CID 106008928
N-[[4-(aminomethyl)cyclohexyl]methyl]-N'-hexan-3-ylpropane-1,3-diamine;ethane;molecular hydrogen
CID 143882693
N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine
CID 103920888
N-butyl-4-propylcyclohexan-1-amine
CID 43080052
N-(2-cyclopentylethyl)heptan-3-amine
CID 63945725
N-hexan-3-ylhexan-1-amine
CID 62117591
N'-cyclopropylpropane-1,3-diamine
CID 44784906
N'-heptan-3-ylethane-1,2-diamine
CID 63945337
4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039992
N-octan-4-yl-4-propylcyclohexan-1-amine
CID 114138056

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)cyclohexyl]-N'-hexan-3-ylpropane-1,3-diamine?
The IUPAC name of N-[4-(2-aminoethyl)cyclohexyl]-N'-hexan-3-ylpropane-1,3-diamine (CID 143378355) is N-[4-(2-aminoethyl)cyclohexyl]-N'-hexan-3-ylpropane-1,3-diamine.
What is the SMILES notation for N-[4-(2-aminoethyl)cyclohexyl]-N'-hexan-3-ylpropane-1,3-diamine?
The canonical SMILES for N-[4-(2-aminoethyl)cyclohexyl]-N'-hexan-3-ylpropane-1,3-diamine is CCCC(CC)NCCCNC1CCC(CCN)CC1.
What is the InChIKey of N-[4-(2-aminoethyl)cyclohexyl]-N'-hexan-3-ylpropane-1,3-diamine?
The InChIKey is PKUISYYEWIZQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-3-6-16(4-2)19-13-5-14-20-17-9-7-15(8-10-17)11-12-18/h15-17,19-20H,3-14,18H2,1-2H3.
What are the key properties of N-[4-(2-aminoethyl)cyclohexyl]-N'-hexan-3-ylpropane-1,3-diamine?
N-[4-(2-aminoethyl)cyclohexyl]-N'-hexan-3-ylpropane-1,3-diamine has a molecular weight of 283.50 g/mol, XLogP of 3.04, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)cyclohexyl]-N'-hexan-3-ylpropane-1,3-diamine is sourced from PubChem (CID 143378355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).