N'-dodecylheptane-1,7-diamine

C19H42N2 — CID 122537296

IUPACN'-dodecylheptane-1,7-diamine
SMILESCCCCCCCCCCCCNCCCCCCCN
InChIInChI=1S/C19H42N2/c1-2-3-4-5-6-7-8-9-12-15-18-21-19-16-13-10-11-14-17-20/h21H,2-20H2,1H3
InChIKeyHSGXSOCOEDRLBX-UHFFFAOYSA-N
MW298.56 g/mol
LogP5.41
Rot. Bonds18

About N'-dodecylheptane-1,7-diamine

N'-dodecylheptane-1,7-diamine (PubChem CID 122537296) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is N'-dodecylheptane-1,7-diamine.

Molecular Properties

Compound NameN'-dodecylheptane-1,7-diamine
PubChem CID122537296
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC NameN'-dodecylheptane-1,7-diamine
SMILESCCCCCCCCCCCCNCCCCCCCN
InChIInChI=1S/C19H42N2/c1-2-3-4-5-6-7-8-9-12-15-18-21-19-16-13-10-11-14-17-20/h21H,2-20H2,1H3
InChIKeyHSGXSOCOEDRLBX-UHFFFAOYSA-N
XLogP5.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 55.41
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'-pentyltridecane-1,13-diamine
CID 174397381
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
N'-tetradecylbutane-1,4-diamine;hydrochloride
CID 73211859
N'-butyloctadecane-1,18-diamine
CID 19427141
ethane;N'-pentylbutane-1,4-diamine
CID 171066485
N'-nonylpropane-1,3-diamine;hydrochloride
CID 170875320
N'-octadecylpropane-1,3-diamine;dihydrofluoride
CID 174890769
N-hexylhexan-1-amine;propan-1-amine
CID 87675299
N'-docosylethane-1,2-diamine
CID 18783196
N'-henicosylethane-1,2-diamine
CID 22930907
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371

Frequently Asked Questions

What is the IUPAC name of N'-dodecylheptane-1,7-diamine?
The IUPAC name of N'-dodecylheptane-1,7-diamine (CID 122537296) is N'-dodecylheptane-1,7-diamine.
What is the SMILES notation for N'-dodecylheptane-1,7-diamine?
The canonical SMILES for N'-dodecylheptane-1,7-diamine is CCCCCCCCCCCCNCCCCCCCN.
What is the InChIKey of N'-dodecylheptane-1,7-diamine?
The InChIKey is HSGXSOCOEDRLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2/c1-2-3-4-5-6-7-8-9-12-15-18-21-19-16-13-10-11-14-17-20/h21H,2-20H2,1H3.
What are the key properties of N'-dodecylheptane-1,7-diamine?
N'-dodecylheptane-1,7-diamine has a molecular weight of 298.56 g/mol, XLogP of 5.41, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-dodecylheptane-1,7-diamine is sourced from PubChem (CID 122537296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).