(E)-N,N-bis(2-methylpropyl)pent-1-en-1-amine

C13H27N — CID 14836297

IUPAC(E)-N,N-bis(2-methylpropyl)pent-1-en-1-amine
SMILESCCC/C=C/N(CC(C)C)CC(C)C
InChIInChI=1S/C13H27N/c1-6-7-8-9-14(10-12(2)3)11-13(4)5/h8-9,12-13H,6-7,10-11H2,1-5H3/b9-8+
InChIKeyIQQMZRVXHDWDGE-CMDGGOBGSA-N
MW197.37 g/mol
LogP3.91
Rot. Bonds7

About (E)-N,N-bis(2-methylpropyl)pent-1-en-1-amine

(E)-N,N-bis(2-methylpropyl)pent-1-en-1-amine (PubChem CID 14836297) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (E)-N,N-bis(2-methylpropyl)pent-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-bis(2-methylpropyl)pent-1-en-1-amine
PubChem CID14836297
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(E)-N,N-bis(2-methylpropyl)pent-1-en-1-amine
SMILESCCC/C=C/N(CC(C)C)CC(C)C
InChIInChI=1S/C13H27N/c1-6-7-8-9-14(10-12(2)3)11-13(4)5/h8-9,12-13H,6-7,10-11H2,1-5H3/b9-8+
InChIKeyIQQMZRVXHDWDGE-CMDGGOBGSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-bis(2-methylpropyl)pent-1-en-1-amine?
The IUPAC name of (E)-N,N-bis(2-methylpropyl)pent-1-en-1-amine (CID 14836297) is (E)-N,N-bis(2-methylpropyl)pent-1-en-1-amine.
What is the SMILES notation for (E)-N,N-bis(2-methylpropyl)pent-1-en-1-amine?
The canonical SMILES for (E)-N,N-bis(2-methylpropyl)pent-1-en-1-amine is CCC/C=C/N(CC(C)C)CC(C)C.
What is the InChIKey of (E)-N,N-bis(2-methylpropyl)pent-1-en-1-amine?
The InChIKey is IQQMZRVXHDWDGE-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H27N/c1-6-7-8-9-14(10-12(2)3)11-13(4)5/h8-9,12-13H,6-7,10-11H2,1-5H3/b9-8+.
What are the key properties of (E)-N,N-bis(2-methylpropyl)pent-1-en-1-amine?
(E)-N,N-bis(2-methylpropyl)pent-1-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-bis(2-methylpropyl)pent-1-en-1-amine is sourced from PubChem (CID 14836297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).