4-methylhepta-1,6-diene-1,1-diamine

C8H16N2 — CID 88988242

IUPAC4-methylhepta-1,6-diene-1,1-diamine
SMILESC=CCC(C)CC=C(N)N
InChIInChI=1S/C8H16N2/c1-3-4-7(2)5-6-8(9)10/h3,6-7H,1,4-5,9-10H2,2H3
InChIKeyXDPOKXWYKHIHEE-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.35
Rot. Bonds4

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

4-methylhepta-1,6-diene-1,1-diamine (PubChem CID 88988242) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-methylhepta-1,6-diene-1,1-diamine.

Molecular Properties

Compound Name4-methylhepta-1,6-diene-1,1-diamine
PubChem CID88988242
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4-methylhepta-1,6-diene-1,1-diamine
SMILESC=CCC(C)CC=C(N)N
InChIInChI=1S/C8H16N2/c1-3-4-7(2)5-6-8(9)10/h3,6-7H,1,4-5,9-10H2,2H3
InChIKeyXDPOKXWYKHIHEE-UHFFFAOYSA-N
XLogP1.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.35
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

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(4S)-5-iodo-4-methylpent-1-ene
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pent-4-en-2-ol;urea
CID 88650571
4,8,8-trimethylnona-1,6-diene
CID 173093207
sodium;hydride;4-methylhex-1-ene
CID 173048656
(2S,3R)-3-aminohex-5-en-2-ol
CID 130715143
ethane;4-methylocta-1,7-diene
CID 144616064
methyl-bis(2-methylpent-4-enyl)silane
CID 123891649
azane;pent-4-en-2-ol
CID 22149561
(2E)-2-ethylidene-5-methyloct-7-en-1-amine
CID 89126708
(2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine
CID 89377891
4-methyldodeca-1,6,8,10-tetraene
CID 123717396

Frequently Asked Questions

What is the IUPAC name of 4-methylhepta-1,6-diene-1,1-diamine?
The IUPAC name of 4-methylhepta-1,6-diene-1,1-diamine (CID 88988242) is 4-methylhepta-1,6-diene-1,1-diamine.
What is the SMILES notation for 4-methylhepta-1,6-diene-1,1-diamine?
The canonical SMILES for 4-methylhepta-1,6-diene-1,1-diamine is C=CCC(C)CC=C(N)N.
What is the InChIKey of 4-methylhepta-1,6-diene-1,1-diamine?
The InChIKey is XDPOKXWYKHIHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-4-7(2)5-6-8(9)10/h3,6-7H,1,4-5,9-10H2,2H3.
What are the key properties of 4-methylhepta-1,6-diene-1,1-diamine?
4-methylhepta-1,6-diene-1,1-diamine has a molecular weight of 140.23 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylhepta-1,6-diene-1,1-diamine is sourced from PubChem (CID 88988242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).