N,N-diaminohexa-1,5-dien-2-amine

C6H13N3 — CID 171097369

IUPACN,N-diaminohexa-1,5-dien-2-amine
SMILESC=CCCC(=C)N(N)N
InChIInChI=1S/C6H13N3/c1-3-4-5-6(2)9(7)8/h3H,1-2,4-5,7-8H2
InChIKeyBZFINZRSQNSODS-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.52
Rot. Bonds4

About N,N-diaminohexa-1,5-dien-2-amine

N,N-diaminohexa-1,5-dien-2-amine (PubChem CID 171097369) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N,N-diaminohexa-1,5-dien-2-amine.

Molecular Properties

Compound NameN,N-diaminohexa-1,5-dien-2-amine
PubChem CID171097369
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN,N-diaminohexa-1,5-dien-2-amine
SMILESC=CCCC(=C)N(N)N
InChIInChI=1S/C6H13N3/c1-3-4-5-6(2)9(7)8/h3H,1-2,4-5,7-8H2
InChIKeyBZFINZRSQNSODS-UHFFFAOYSA-N
XLogP0.52
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

ethane;N-fluoro-N-methylhexa-1,5-dien-2-amine
CID 162360697
hexa-1,5-dien-2-ol
CID 71321875
(5E)-5-bromohepta-1,5-diene
CID 163878412
2-prop-2-enylhexa-1,5-diene-1,1-diamine
CID 87329046
N-methyl-N-(2-methylbutyl)hexa-1,5-dien-2-amine
CID 143366441
N-hexa-1,5-dien-2-yl-N-propylacetamide
CID 154931819
magnesium;2-methanidylhexa-1,5-diene;chloride
CID 13072713
5-methylidenehept-1-ene
CID 54202269
ethane;2-methylhexa-1,5-diene;molecular hydrogen
CID 144513072
ethane;(5E)-5-propan-2-ylhepta-1,5-diene
CID 142226106
N,N-dimethylpent-4-enamide
CID 13308678
2-methyl-4-methylideneocta-1,7-diene
CID 140752999

Frequently Asked Questions

What is the IUPAC name of N,N-diaminohexa-1,5-dien-2-amine?
The IUPAC name of N,N-diaminohexa-1,5-dien-2-amine (CID 171097369) is N,N-diaminohexa-1,5-dien-2-amine.
What is the SMILES notation for N,N-diaminohexa-1,5-dien-2-amine?
The canonical SMILES for N,N-diaminohexa-1,5-dien-2-amine is C=CCCC(=C)N(N)N.
What is the InChIKey of N,N-diaminohexa-1,5-dien-2-amine?
The InChIKey is BZFINZRSQNSODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-3-4-5-6(2)9(7)8/h3H,1-2,4-5,7-8H2.
What are the key properties of N,N-diaminohexa-1,5-dien-2-amine?
N,N-diaminohexa-1,5-dien-2-amine has a molecular weight of 127.19 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diaminohexa-1,5-dien-2-amine is sourced from PubChem (CID 171097369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).