N-propan-2-ylpent-4-en-2-amine

C8H17N — CID 21205791

IUPACN-propan-2-ylpent-4-en-2-amine
SMILESC=CCC(C)NC(C)C
InChIInChI=1S/C8H17N/c1-5-6-8(4)9-7(2)3/h5,7-9H,1,6H2,2-4H3
InChIKeyDOUXXHMNUWKBNS-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.95
Rot. Bonds4

About N-propan-2-ylpent-4-en-2-amine

N-propan-2-ylpent-4-en-2-amine (PubChem CID 21205791) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-propan-2-ylpent-4-en-2-amine.

Molecular Properties

Compound NameN-propan-2-ylpent-4-en-2-amine
PubChem CID21205791
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-propan-2-ylpent-4-en-2-amine
SMILESC=CCC(C)NC(C)C
InChIInChI=1S/C8H17N/c1-5-6-8(4)9-7(2)3/h5,7-9H,1,6H2,2-4H3
InChIKeyDOUXXHMNUWKBNS-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
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 N-propan-2-ylpent-4-en-2-amine?
The IUPAC name of N-propan-2-ylpent-4-en-2-amine (CID 21205791) is N-propan-2-ylpent-4-en-2-amine.
What is the SMILES notation for N-propan-2-ylpent-4-en-2-amine?
The canonical SMILES for N-propan-2-ylpent-4-en-2-amine is C=CCC(C)NC(C)C.
What is the InChIKey of N-propan-2-ylpent-4-en-2-amine?
The InChIKey is DOUXXHMNUWKBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-5-6-8(4)9-7(2)3/h5,7-9H,1,6H2,2-4H3.
What are the key properties of N-propan-2-ylpent-4-en-2-amine?
N-propan-2-ylpent-4-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylpent-4-en-2-amine is sourced from PubChem (CID 21205791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).