N,N-bis(ethenyl)-2-ethylhexan-1-amine

C12H23N — CID 139999944

IUPACN,N-bis(ethenyl)-2-ethylhexan-1-amine
SMILESC=CN(C=C)CC(CC)CCCC
InChIInChI=1S/C12H23N/c1-5-9-10-12(6-2)11-13(7-3)8-4/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyDDWIRKCLZCXXQM-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.79
Rot. Bonds8

About N,N-bis(ethenyl)-2-ethylhexan-1-amine

N,N-bis(ethenyl)-2-ethylhexan-1-amine (PubChem CID 139999944) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,N-bis(ethenyl)-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN,N-bis(ethenyl)-2-ethylhexan-1-amine
PubChem CID139999944
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,N-bis(ethenyl)-2-ethylhexan-1-amine
SMILESC=CN(C=C)CC(CC)CCCC
InChIInChI=1S/C12H23N/c1-5-9-10-12(6-2)11-13(7-3)8-4/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyDDWIRKCLZCXXQM-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(ethenyl)-2-ethylhexan-1-amine?
The IUPAC name of N,N-bis(ethenyl)-2-ethylhexan-1-amine (CID 139999944) is N,N-bis(ethenyl)-2-ethylhexan-1-amine.
What is the SMILES notation for N,N-bis(ethenyl)-2-ethylhexan-1-amine?
The canonical SMILES for N,N-bis(ethenyl)-2-ethylhexan-1-amine is C=CN(C=C)CC(CC)CCCC.
What is the InChIKey of N,N-bis(ethenyl)-2-ethylhexan-1-amine?
The InChIKey is DDWIRKCLZCXXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-9-10-12(6-2)11-13(7-3)8-4/h7-8,12H,3-6,9-11H2,1-2H3.
What are the key properties of N,N-bis(ethenyl)-2-ethylhexan-1-amine?
N,N-bis(ethenyl)-2-ethylhexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(ethenyl)-2-ethylhexan-1-amine is sourced from PubChem (CID 139999944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).