2,2-bis(prop-2-enyl)hexan-1-amine

C12H23N — CID 175019785

IUPAC2,2-bis(prop-2-enyl)hexan-1-amine
SMILESC=CCC(CN)(CC=C)CCCC
InChIInChI=1S/C12H23N/c1-4-7-10-12(11-13,8-5-2)9-6-3/h5-6H,2-4,7-11,13H2,1H3
InChIKeyRKVVXZDLOIHTMI-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.27
Rot. Bonds8

About 2,2-bis(prop-2-enyl)hexan-1-amine

2,2-bis(prop-2-enyl)hexan-1-amine (PubChem CID 175019785) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2,2-bis(prop-2-enyl)hexan-1-amine.

Molecular Properties

Compound Name2,2-bis(prop-2-enyl)hexan-1-amine
PubChem CID175019785
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2,2-bis(prop-2-enyl)hexan-1-amine
SMILESC=CCC(CN)(CC=C)CCCC
InChIInChI=1S/C12H23N/c1-4-7-10-12(11-13,8-5-2)9-6-3/h5-6H,2-4,7-11,13H2,1H3
InChIKeyRKVVXZDLOIHTMI-UHFFFAOYSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-2-ethylhexan-1-amine
CID 62725100
2-pentyl-2-prop-2-enylpropane-1,3-diol
CID 87313857
2-(aminomethyl)-2-butylpropane-1,3-diol
CID 139977749
2-butyl-2-propylpentane-1,5-diamine
CID 71310126
2-(aminomethyl)-2-octylpropane-1,3-diamine
CID 13067190
2-butyl-2-ethyldodecan-1-amine
CID 55195465
3-ethyl-3-prop-2-enylhex-5-en-1-amine
CID 153496771
2-(aminomethyl)-2-prop-2-enylpent-4-en-1-ol
CID 170682410
2-decyl-2-ethylpropane-1,3-diamine
CID 102189049
4-prop-2-enylpentadec-1-en-4-amine;hydrobromide
CID 175561097
2-(aminomethyl)-2-[(Z)-heptadec-8-enyl]propane-1,3-diamine
CID 87409752
4,5-bis(prop-2-enyl)-5-propylocta-1,7-dien-4-amine
CID 87405810

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(prop-2-enyl)hexan-1-amine?
The IUPAC name of 2,2-bis(prop-2-enyl)hexan-1-amine (CID 175019785) is 2,2-bis(prop-2-enyl)hexan-1-amine.
What is the SMILES notation for 2,2-bis(prop-2-enyl)hexan-1-amine?
The canonical SMILES for 2,2-bis(prop-2-enyl)hexan-1-amine is C=CCC(CN)(CC=C)CCCC.
What is the InChIKey of 2,2-bis(prop-2-enyl)hexan-1-amine?
The InChIKey is RKVVXZDLOIHTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-7-10-12(11-13,8-5-2)9-6-3/h5-6H,2-4,7-11,13H2,1H3.
What are the key properties of 2,2-bis(prop-2-enyl)hexan-1-amine?
2,2-bis(prop-2-enyl)hexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enyl)hexan-1-amine is sourced from PubChem (CID 175019785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).