N'-nonylpropane-1,3-diamine;hydrochloride

C12H29ClN2 — CID 170875320

IUPACN'-nonylpropane-1,3-diamine;hydrochloride
SMILESCCCCCCCCCNCCCN.Cl
InChIInChI=1S/C12H28N2.ClH/c1-2-3-4-5-6-7-8-11-14-12-9-10-13;/h14H,2-13H2,1H3;1H
InChIKeyWZSLFSXDWHGPPR-UHFFFAOYSA-N
MW236.83 g/mol
LogP3.10
Rot. Bonds11

About N'-nonylpropane-1,3-diamine;hydrochloride

N'-nonylpropane-1,3-diamine;hydrochloride (PubChem CID 170875320) has the molecular formula C12H29ClN2 and a molecular weight of 236.83 g/mol. Its IUPAC name is N'-nonylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN'-nonylpropane-1,3-diamine;hydrochloride
PubChem CID170875320
Molecular FormulaC12H29ClN2
Molecular Weight236.83 g/mol
Exact Mass236.20
IUPAC NameN'-nonylpropane-1,3-diamine;hydrochloride
SMILESCCCCCCCCCNCCCN.Cl
InChIInChI=1S/C12H28N2.ClH/c1-2-3-4-5-6-7-8-11-14-12-9-10-13;/h14H,2-13H2,1H3;1H
InChIKeyWZSLFSXDWHGPPR-UHFFFAOYSA-N
XLogP3.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.83
LogP ≤ 53.10
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'-octadecylpropane-1,3-diamine;dihydrofluoride
CID 174890769
N'-tetradecylbutane-1,4-diamine;hydrochloride
CID 73211859
N'-pentyltridecane-1,13-diamine
CID 174397381
N'-dodecylheptane-1,7-diamine
CID 122537296
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
N-hexylhexan-1-amine;propan-1-amine
CID 87675299
N'-docosylethane-1,2-diamine
CID 18783196
N'-henicosylethane-1,2-diamine
CID 22930907
N'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine
CID 175374912
N'-butyloctadecane-1,18-diamine
CID 19427141
ethane;N'-pentylbutane-1,4-diamine
CID 171066485

Frequently Asked Questions

What is the IUPAC name of N'-nonylpropane-1,3-diamine;hydrochloride?
The IUPAC name of N'-nonylpropane-1,3-diamine;hydrochloride (CID 170875320) is N'-nonylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for N'-nonylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for N'-nonylpropane-1,3-diamine;hydrochloride is CCCCCCCCCNCCCN.Cl.
What is the InChIKey of N'-nonylpropane-1,3-diamine;hydrochloride?
The InChIKey is WZSLFSXDWHGPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2.ClH/c1-2-3-4-5-6-7-8-11-14-12-9-10-13;/h14H,2-13H2,1H3;1H.
What are the key properties of N'-nonylpropane-1,3-diamine;hydrochloride?
N'-nonylpropane-1,3-diamine;hydrochloride has a molecular weight of 236.83 g/mol, XLogP of 3.10, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-nonylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 170875320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).