hepta-1,6-diene-4,4-diamine

C7H14N2 — CID 21275124

IUPAChepta-1,6-diene-4,4-diamine
SMILESC=CCC(N)(N)CC=C
InChIInChI=1S/C7H14N2/c1-3-5-7(8,9)6-4-2/h3-4H,1-2,5-6,8-9H2
InChIKeyRFMPSRDNZJOVGE-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.75
Rot. Bonds4

About hepta-1,6-diene-4,4-diamine

hepta-1,6-diene-4,4-diamine (PubChem CID 21275124) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is hepta-1,6-diene-4,4-diamine.

Molecular Properties

Compound Namehepta-1,6-diene-4,4-diamine
PubChem CID21275124
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Namehepta-1,6-diene-4,4-diamine
SMILESC=CCC(N)(N)CC=C
InChIInChI=1S/C7H14N2/c1-3-5-7(8,9)6-4-2/h3-4H,1-2,5-6,8-9H2
InChIKeyRFMPSRDNZJOVGE-UHFFFAOYSA-N
XLogP0.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

pent-4-ene-1,2,2-triamine
CID 88705333
4-aminohepta-1,6-dien-4-ol
CID 87970022
5,6-dimethylidene-4,7-bis(prop-2-enyl)deca-1,9-diene-4,7-diamine
CID 87118745
4,7-dimethyldeca-1,9-diene-4,7-diamine
CID 10774290
2-amino-2-methylpent-4-en-1-ol
CID 55291318
2,5,5-trimethylocta-3,7-dien-2-amine
CID 91514894
2-amino-2-methylpent-4-enenitrile
CID 88512279
3-amino-2-methylhex-5-en-3-ol
CID 87728442
2-ethenyl-1-trimethoxysilylpent-4-ene-1,1,2-triamine
CID 174051682
2-chloro-2-prop-2-enylpent-4-en-1-amine
CID 87643832
3-N',3-N'-dimethylhex-5-ene-3,3-diamine
CID 121417447
azane;4,4,4-trifluorobut-1-ene
CID 166791740

Frequently Asked Questions

What is the IUPAC name of hepta-1,6-diene-4,4-diamine?
The IUPAC name of hepta-1,6-diene-4,4-diamine (CID 21275124) is hepta-1,6-diene-4,4-diamine.
What is the SMILES notation for hepta-1,6-diene-4,4-diamine?
The canonical SMILES for hepta-1,6-diene-4,4-diamine is C=CCC(N)(N)CC=C.
What is the InChIKey of hepta-1,6-diene-4,4-diamine?
The InChIKey is RFMPSRDNZJOVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-5-7(8,9)6-4-2/h3-4H,1-2,5-6,8-9H2.
What are the key properties of hepta-1,6-diene-4,4-diamine?
hepta-1,6-diene-4,4-diamine has a molecular weight of 126.20 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hepta-1,6-diene-4,4-diamine is sourced from PubChem (CID 21275124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).