azane;N-prop-2-enylpent-1-en-3-amine

C8H21N3 — CID 88749494

IUPACazane;N-prop-2-enylpent-1-en-3-amine
SMILESC=CCNC(C=C)CC.N.N
InChIInChI=1S/C8H15N.2H3N/c1-4-7-9-8(5-2)6-3;;/h4-5,8-9H,1-2,6-7H2,3H3;2*1H3
InChIKeyOBKMNZYNTBGCDM-UHFFFAOYSA-N
MW159.28 g/mol
LogP2.05
Rot. Bonds5

About azane;N-prop-2-enylpent-1-en-3-amine

azane;N-prop-2-enylpent-1-en-3-amine (PubChem CID 88749494) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is azane;N-prop-2-enylpent-1-en-3-amine.

Molecular Properties

Compound Nameazane;N-prop-2-enylpent-1-en-3-amine
PubChem CID88749494
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC Nameazane;N-prop-2-enylpent-1-en-3-amine
SMILESC=CCNC(C=C)CC.N.N
InChIInChI=1S/C8H15N.2H3N/c1-4-7-9-8(5-2)6-3;;/h4-5,8-9H,1-2,6-7H2,3H3;2*1H3
InChIKeyOBKMNZYNTBGCDM-UHFFFAOYSA-N
XLogP2.05
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 azane;N-prop-2-enylpent-1-en-3-amine?
The IUPAC name of azane;N-prop-2-enylpent-1-en-3-amine (CID 88749494) is azane;N-prop-2-enylpent-1-en-3-amine.
What is the SMILES notation for azane;N-prop-2-enylpent-1-en-3-amine?
The canonical SMILES for azane;N-prop-2-enylpent-1-en-3-amine is C=CCNC(C=C)CC.N.N.
What is the InChIKey of azane;N-prop-2-enylpent-1-en-3-amine?
The InChIKey is OBKMNZYNTBGCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.2H3N/c1-4-7-9-8(5-2)6-3;;/h4-5,8-9H,1-2,6-7H2,3H3;2*1H3.
What are the key properties of azane;N-prop-2-enylpent-1-en-3-amine?
azane;N-prop-2-enylpent-1-en-3-amine has a molecular weight of 159.28 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-prop-2-enylpent-1-en-3-amine is sourced from PubChem (CID 88749494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).