2-N-prop-2-enylheptane-1,2-diamine

C10H22N2 — CID 65385138

IUPAC2-N-prop-2-enylheptane-1,2-diamine
SMILESC=CCNC(CN)CCCCC
InChIInChI=1S/C10H22N2/c1-3-5-6-7-10(9-11)12-8-4-2/h4,10,12H,2-3,5-9,11H2,1H3
InChIKeyUZQABJYYVYDJOM-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.67
Rot. Bonds8

About 2-N-prop-2-enylheptane-1,2-diamine

2-N-prop-2-enylheptane-1,2-diamine (PubChem CID 65385138) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-N-prop-2-enylheptane-1,2-diamine.

Molecular Properties

Compound Name2-N-prop-2-enylheptane-1,2-diamine
PubChem CID65385138
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2-N-prop-2-enylheptane-1,2-diamine
SMILESC=CCNC(CN)CCCCC
InChIInChI=1S/C10H22N2/c1-3-5-6-7-10(9-11)12-8-4-2/h4,10,12H,2-3,5-9,11H2,1H3
InChIKeyUZQABJYYVYDJOM-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enylundecan-6-amine
CID 43755395
N-prop-2-enylheptan-3-amine
CID 63946261
1-N,1-N'-bis(prop-2-enyl)decane-1,1-diamine
CID 118539190
2-N-(2-methylpropyl)nonane-1,2-diamine
CID 65385407
2-N-(2,2-difluoroethyl)undecane-1,2-diamine
CID 114078509
2-(prop-2-enylamino)tetradecane-1,1-diol
CID 175295299
tridec-1-en-4-ylhydrazine
CID 105269672
N-ethyltridec-1-en-5-amine
CID 104987742
N-propylundec-1-en-5-amine
CID 104987530
2-N-dodecylbutane-1,2,4-triamine
CID 19990016
N-prop-2-enyltridecan-1-amine
CID 22467882
N-ethenylnonan-4-amine
CID 154960138

Frequently Asked Questions

What is the IUPAC name of 2-N-prop-2-enylheptane-1,2-diamine?
The IUPAC name of 2-N-prop-2-enylheptane-1,2-diamine (CID 65385138) is 2-N-prop-2-enylheptane-1,2-diamine.
What is the SMILES notation for 2-N-prop-2-enylheptane-1,2-diamine?
The canonical SMILES for 2-N-prop-2-enylheptane-1,2-diamine is C=CCNC(CN)CCCCC.
What is the InChIKey of 2-N-prop-2-enylheptane-1,2-diamine?
The InChIKey is UZQABJYYVYDJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-5-6-7-10(9-11)12-8-4-2/h4,10,12H,2-3,5-9,11H2,1H3.
What are the key properties of 2-N-prop-2-enylheptane-1,2-diamine?
2-N-prop-2-enylheptane-1,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-prop-2-enylheptane-1,2-diamine is sourced from PubChem (CID 65385138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).