N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine

C10H25N3 — CID 62923108

IUPACN'-(2-aminoethyl)-N'-hexylethane-1,2-diamine
SMILESCCCCCCN(CCN)CCN
InChIInChI=1S/C10H25N3/c1-2-3-4-5-8-13(9-6-11)10-7-12/h2-12H2,1H3
InChIKeyVTMDNTOUQFCNAT-UHFFFAOYSA-N
MW187.33 g/mol
LogP0.79
Rot. Bonds9

About N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine

N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine (PubChem CID 62923108) has the molecular formula C10H25N3 and a molecular weight of 187.33 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-hexylethane-1,2-diamine
PubChem CID62923108
Molecular FormulaC10H25N3
Molecular Weight187.33 g/mol
Exact Mass187.20
IUPAC NameN'-(2-aminoethyl)-N'-hexylethane-1,2-diamine
SMILESCCCCCCN(CCN)CCN
InChIInChI=1S/C10H25N3/c1-2-3-4-5-8-13(9-6-11)10-7-12/h2-12H2,1H3
InChIKeyVTMDNTOUQFCNAT-UHFFFAOYSA-N
XLogP0.79
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(7-aminoheptyl)-N'-hexadecyloctane-1,8-diamine
CID 161025353
N',N'-dioctadecylhexane-1,6-diamine
CID 142629874
N',N'-diheptylpropane-1,3-diamine
CID 22251174
N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890
N',N'-di(nonyl)pentane-1,5-diamine
CID 142498859
N,N-didodecyldodecan-1-amine;dodecan-1-amine
CID 161417481
N'-(3-aminopropyl)-N'-hexylbutane-1,4-diamine
CID 10955355
N'-hexadecyl-N'-[(Z)-octadec-9-enyl]ethane-1,2-diamine
CID 175236523
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine (CID 62923108) is N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine is CCCCCCN(CCN)CCN.
What is the InChIKey of N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine?
The InChIKey is VTMDNTOUQFCNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3/c1-2-3-4-5-8-13(9-6-11)10-7-12/h2-12H2,1H3.
What are the key properties of N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine?
N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine has a molecular weight of 187.33 g/mol, XLogP of 0.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine is sourced from PubChem (CID 62923108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).