(2R)-1-[amino(pent-4-enyl)amino]propan-2-amine

C8H19N3 — CID 166996482

IUPAC(2R)-1-[amino(pent-4-enyl)amino]propan-2-amine
SMILESC=CCCCN(N)C[C@@H](C)N
InChIInChI=1S/C8H19N3/c1-3-4-5-6-11(10)7-8(2)9/h3,8H,1,4-7,9-10H2,2H3/t8-/m1/s1
InChIKeyBBRIVPXYTHMAMJ-MRVPVSSYSA-N
MW157.26 g/mol
LogP0.48
Rot. Bonds6

About (2R)-1-[amino(pent-4-enyl)amino]propan-2-amine

(2R)-1-[amino(pent-4-enyl)amino]propan-2-amine (PubChem CID 166996482) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is (2R)-1-[amino(pent-4-enyl)amino]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[amino(pent-4-enyl)amino]propan-2-amine
PubChem CID166996482
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name(2R)-1-[amino(pent-4-enyl)amino]propan-2-amine
SMILESC=CCCCN(N)C[C@@H](C)N
InChIInChI=1S/C8H19N3/c1-3-4-5-6-11(10)7-8(2)9/h3,8H,1,4-7,9-10H2,2H3/t8-/m1/s1
InChIKeyBBRIVPXYTHMAMJ-MRVPVSSYSA-N
XLogP0.48
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide
CID 15511724
N,N-dimethylpent-4-en-1-amine;ethane
CID 155570199
(4S)-non-8-en-4-amine
CID 10678342
(4R)-non-8-en-4-amine
CID 10796847
25-methylhexacos-1-ene
CID 141407501
26-methylheptacos-1-ene
CID 154926473
2-methoxy-N'-methyl-N'-pent-4-enylpropane-1,3-diamine
CID 106115011
3-amino-2-methylnon-8-en-4-one
CID 116549029
2-amino-N-methyl-N-pent-4-enylbutanamide
CID 115734607
2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-pent-4-enylaniline
CID 104869696
2-methylnon-8-en-4-amine
CID 11829678
10-aminoundec-1-en-6-one
CID 116610182

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[amino(pent-4-enyl)amino]propan-2-amine?
The IUPAC name of (2R)-1-[amino(pent-4-enyl)amino]propan-2-amine (CID 166996482) is (2R)-1-[amino(pent-4-enyl)amino]propan-2-amine.
What is the SMILES notation for (2R)-1-[amino(pent-4-enyl)amino]propan-2-amine?
The canonical SMILES for (2R)-1-[amino(pent-4-enyl)amino]propan-2-amine is C=CCCCN(N)C[C@@H](C)N.
What is the InChIKey of (2R)-1-[amino(pent-4-enyl)amino]propan-2-amine?
The InChIKey is BBRIVPXYTHMAMJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H19N3/c1-3-4-5-6-11(10)7-8(2)9/h3,8H,1,4-7,9-10H2,2H3/t8-/m1/s1.
What are the key properties of (2R)-1-[amino(pent-4-enyl)amino]propan-2-amine?
(2R)-1-[amino(pent-4-enyl)amino]propan-2-amine has a molecular weight of 157.26 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[amino(pent-4-enyl)amino]propan-2-amine is sourced from PubChem (CID 166996482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).