1-N-propan-2-ylpent-4-ene-1,2-diamine

C8H18N2 — CID 55289996

IUPAC1-N-propan-2-ylpent-4-ene-1,2-diamine
SMILESC=CCC(N)CNC(C)C
InChIInChI=1S/C8H18N2/c1-4-5-8(9)6-10-7(2)3/h4,7-8,10H,1,5-6,9H2,2-3H3
InChIKeyCEHGSDCCIBSCSK-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.89
Rot. Bonds5

About 1-N-propan-2-ylpent-4-ene-1,2-diamine

1-N-propan-2-ylpent-4-ene-1,2-diamine (PubChem CID 55289996) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-N-propan-2-ylpent-4-ene-1,2-diamine.

Molecular Properties

Compound Name1-N-propan-2-ylpent-4-ene-1,2-diamine
PubChem CID55289996
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-N-propan-2-ylpent-4-ene-1,2-diamine
SMILESC=CCC(N)CNC(C)C
InChIInChI=1S/C8H18N2/c1-4-5-8(9)6-10-7(2)3/h4,7-8,10H,1,5-6,9H2,2-3H3
InChIKeyCEHGSDCCIBSCSK-UHFFFAOYSA-N
XLogP0.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-(propan-2-ylamino)propan-1-ol
CID 58660094
(4S)-6-methylhept-1-en-4-amine
CID 55284878
(2S)-1-N-propan-2-ylpropane-1,2-diamine
CID 11480427
N-prop-2-enylpropan-2-amine
CID 159979595
N-prop-2-enylpropan-2-amine
CID 520711
pent-4-ene-1,2-diamine;silane
CID 174886622
1-(2-methylhex-5-en-3-ylamino)propan-2-ol
CID 2772037
(4S)-octa-1,7-dien-4-amine
CID 124537914
6,8,8-trimethylnon-1-en-4-amine
CID 115813808
(4S,6S)-6,10-dimethylundeca-1,9-dien-4-amine
CID 11954735
(2S,3R)-3-aminohex-5-en-2-ol
CID 130715143
3,4-dimethylhept-6-en-2-amine
CID 131966570

Frequently Asked Questions

What is the IUPAC name of 1-N-propan-2-ylpent-4-ene-1,2-diamine?
The IUPAC name of 1-N-propan-2-ylpent-4-ene-1,2-diamine (CID 55289996) is 1-N-propan-2-ylpent-4-ene-1,2-diamine.
What is the SMILES notation for 1-N-propan-2-ylpent-4-ene-1,2-diamine?
The canonical SMILES for 1-N-propan-2-ylpent-4-ene-1,2-diamine is C=CCC(N)CNC(C)C.
What is the InChIKey of 1-N-propan-2-ylpent-4-ene-1,2-diamine?
The InChIKey is CEHGSDCCIBSCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-5-8(9)6-10-7(2)3/h4,7-8,10H,1,5-6,9H2,2-3H3.
What are the key properties of 1-N-propan-2-ylpent-4-ene-1,2-diamine?
1-N-propan-2-ylpent-4-ene-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-propan-2-ylpent-4-ene-1,2-diamine is sourced from PubChem (CID 55289996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).