N-ethyl-2-methyl-N-prop-1-enylhexan-1-amine

C12H25N — CID 91055826

IUPACN-ethyl-2-methyl-N-prop-1-enylhexan-1-amine
SMILESCC=CN(CC)CC(C)CCCC
InChIInChI=1S/C12H25N/c1-5-8-9-12(4)11-13(7-3)10-6-2/h6,10,12H,5,7-9,11H2,1-4H3
InChIKeyLFCFRPLFJCAZHM-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.67
Rot. Bonds7

About N-ethyl-2-methyl-N-prop-1-enylhexan-1-amine

N-ethyl-2-methyl-N-prop-1-enylhexan-1-amine (PubChem CID 91055826) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-prop-1-enylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-prop-1-enylhexan-1-amine
PubChem CID91055826
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-ethyl-2-methyl-N-prop-1-enylhexan-1-amine
SMILESCC=CN(CC)CC(C)CCCC
InChIInChI=1S/C12H25N/c1-5-8-9-12(4)11-13(7-3)10-6-2/h6,10,12H,5,7-9,11H2,1-4H3
InChIKeyLFCFRPLFJCAZHM-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-prop-1-enylhexan-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-prop-1-enylhexan-1-amine (CID 91055826) is N-ethyl-2-methyl-N-prop-1-enylhexan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-prop-1-enylhexan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-prop-1-enylhexan-1-amine is CC=CN(CC)CC(C)CCCC.
What is the InChIKey of N-ethyl-2-methyl-N-prop-1-enylhexan-1-amine?
The InChIKey is LFCFRPLFJCAZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-8-9-12(4)11-13(7-3)10-6-2/h6,10,12H,5,7-9,11H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-N-prop-1-enylhexan-1-amine?
N-ethyl-2-methyl-N-prop-1-enylhexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-prop-1-enylhexan-1-amine is sourced from PubChem (CID 91055826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).