(2S)-3-methyl-N,N-dipropylbut-3-en-2-amine

C11H23N — CID 88994532

IUPAC(2S)-3-methyl-N,N-dipropylbut-3-en-2-amine
SMILESC=C(C)[C@H](C)N(CCC)CCC
InChIInChI=1S/C11H23N/c1-6-8-12(9-7-2)11(5)10(3)4/h11H,3,6-9H2,1-2,4-5H3/t11-/m0/s1
InChIKeyHXUVUVWDEFSXJM-NSHDSACASA-N
MW169.31 g/mol
LogP3.07
Rot. Bonds6

About (2S)-3-methyl-N,N-dipropylbut-3-en-2-amine

(2S)-3-methyl-N,N-dipropylbut-3-en-2-amine (PubChem CID 88994532) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (2S)-3-methyl-N,N-dipropylbut-3-en-2-amine.

Molecular Properties

Compound Name(2S)-3-methyl-N,N-dipropylbut-3-en-2-amine
PubChem CID88994532
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(2S)-3-methyl-N,N-dipropylbut-3-en-2-amine
SMILESC=C(C)[C@H](C)N(CCC)CCC
InChIInChI=1S/C11H23N/c1-6-8-12(9-7-2)11(5)10(3)4/h11H,3,6-9H2,1-2,4-5H3/t11-/m0/s1
InChIKeyHXUVUVWDEFSXJM-NSHDSACASA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-N,N-dipropylbut-3-en-2-amine?
The IUPAC name of (2S)-3-methyl-N,N-dipropylbut-3-en-2-amine (CID 88994532) is (2S)-3-methyl-N,N-dipropylbut-3-en-2-amine.
What is the SMILES notation for (2S)-3-methyl-N,N-dipropylbut-3-en-2-amine?
The canonical SMILES for (2S)-3-methyl-N,N-dipropylbut-3-en-2-amine is C=C(C)[C@H](C)N(CCC)CCC.
What is the InChIKey of (2S)-3-methyl-N,N-dipropylbut-3-en-2-amine?
The InChIKey is HXUVUVWDEFSXJM-NSHDSACASA-N. The full InChI is InChI=1S/C11H23N/c1-6-8-12(9-7-2)11(5)10(3)4/h11H,3,6-9H2,1-2,4-5H3/t11-/m0/s1.
What are the key properties of (2S)-3-methyl-N,N-dipropylbut-3-en-2-amine?
(2S)-3-methyl-N,N-dipropylbut-3-en-2-amine has a molecular weight of 169.31 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-N,N-dipropylbut-3-en-2-amine is sourced from PubChem (CID 88994532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).