N-ethenyl-N-hexylhexan-1-amine

C14H29N — CID 21411281

IUPACN-ethenyl-N-hexylhexan-1-amine
SMILESC=CN(CCCCCC)CCCCCC
InChIInChI=1S/C14H29N/c1-4-7-9-11-13-15(6-3)14-12-10-8-5-2/h6H,3-5,7-14H2,1-2H3
InChIKeyZDMSUEDZUKQKGZ-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.59
Rot. Bonds11

About N-ethenyl-N-hexylhexan-1-amine

N-ethenyl-N-hexylhexan-1-amine (PubChem CID 21411281) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-ethenyl-N-hexylhexan-1-amine.

Molecular Properties

Compound NameN-ethenyl-N-hexylhexan-1-amine
PubChem CID21411281
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-ethenyl-N-hexylhexan-1-amine
SMILESC=CN(CCCCCC)CCCCCC
InChIInChI=1S/C14H29N/c1-4-7-9-11-13-15(6-3)14-12-10-8-5-2/h6H,3-5,7-14H2,1-2H3
InChIKeyZDMSUEDZUKQKGZ-UHFFFAOYSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

vinyl N,N-dipropylamine
CID 22037448
Dibutylamino ethylene
CID 22467866
Vinylazepan
CID 66742750
N-methyl-N-vinyl-N-dodecylamine
CID 88156452
N,N-bis(ethenyl)dodecan-1-amine
CID 14389660
N-ethenyl-N-ethylbutan-1-amine
CID 18323502
N,N-bis(ethenyl)octadecan-1-amine
CID 18417863
(E)-N,N-dimethyl-N',N'-dioctylethene-1,2-diamine
CID 19837432
(E)-N,N,N'-trimethyl-N'-nonylethene-1,2-diamine
CID 19837438
1-Ethenyl-1-methylpiperidin-1-ium
CID 19877888
N-hexyl-N-[(E)-prop-1-enyl]hexan-1-amine
CID 20466094
N,N-bis(ethenyl)butan-1-amine;hydron
CID 21243475

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-hexylhexan-1-amine?
The IUPAC name of N-ethenyl-N-hexylhexan-1-amine (CID 21411281) is N-ethenyl-N-hexylhexan-1-amine.
What is the SMILES notation for N-ethenyl-N-hexylhexan-1-amine?
The canonical SMILES for N-ethenyl-N-hexylhexan-1-amine is C=CN(CCCCCC)CCCCCC.
What is the InChIKey of N-ethenyl-N-hexylhexan-1-amine?
The InChIKey is ZDMSUEDZUKQKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-7-9-11-13-15(6-3)14-12-10-8-5-2/h6H,3-5,7-14H2,1-2H3.
What are the key properties of N-ethenyl-N-hexylhexan-1-amine?
N-ethenyl-N-hexylhexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.59, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-hexylhexan-1-amine is sourced from PubChem (CID 21411281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).