(2S)-N-(cyclopropylmethyl)pent-4-en-2-amine

C9H17N — CID 166665711

IUPAC(2S)-N-(cyclopropylmethyl)pent-4-en-2-amine
SMILESC=CC[C@H](C)NCC1CC1
InChIInChI=1S/C9H17N/c1-3-4-8(2)10-7-9-5-6-9/h3,8-10H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyUGXAQDRVFKIASX-QMMMGPOBSA-N
MW139.24 g/mol
LogP1.95
Rot. Bonds5

About (2S)-N-(cyclopropylmethyl)pent-4-en-2-amine

(2S)-N-(cyclopropylmethyl)pent-4-en-2-amine (PubChem CID 166665711) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2S)-N-(cyclopropylmethyl)pent-4-en-2-amine.

Molecular Properties

Compound Name(2S)-N-(cyclopropylmethyl)pent-4-en-2-amine
PubChem CID166665711
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2S)-N-(cyclopropylmethyl)pent-4-en-2-amine
SMILESC=CC[C@H](C)NCC1CC1
InChIInChI=1S/C9H17N/c1-3-4-8(2)10-7-9-5-6-9/h3,8-10H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyUGXAQDRVFKIASX-QMMMGPOBSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
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)-N-(cyclopropylmethyl)pent-4-en-2-amine?
The IUPAC name of (2S)-N-(cyclopropylmethyl)pent-4-en-2-amine (CID 166665711) is (2S)-N-(cyclopropylmethyl)pent-4-en-2-amine.
What is the SMILES notation for (2S)-N-(cyclopropylmethyl)pent-4-en-2-amine?
The canonical SMILES for (2S)-N-(cyclopropylmethyl)pent-4-en-2-amine is C=CC[C@H](C)NCC1CC1.
What is the InChIKey of (2S)-N-(cyclopropylmethyl)pent-4-en-2-amine?
The InChIKey is UGXAQDRVFKIASX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17N/c1-3-4-8(2)10-7-9-5-6-9/h3,8-10H,1,4-7H2,2H3/t8-/m0/s1.
What are the key properties of (2S)-N-(cyclopropylmethyl)pent-4-en-2-amine?
(2S)-N-(cyclopropylmethyl)pent-4-en-2-amine has a molecular weight of 139.24 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopropylmethyl)pent-4-en-2-amine is sourced from PubChem (CID 166665711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).