3,3-dimethylhex-5-en-2-amine

C8H17N — CID 130019272

IUPAC3,3-dimethylhex-5-en-2-amine
SMILESC=CCC(C)(C)C(C)N
InChIInChI=1S/C8H17N/c1-5-6-8(3,4)7(2)9/h5,7H,1,6,9H2,2-4H3
InChIKeyVNAYYACIOWQZLD-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.94
Rot. Bonds3

About 3,3-dimethylhex-5-en-2-amine

3,3-dimethylhex-5-en-2-amine (PubChem CID 130019272) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 3,3-dimethylhex-5-en-2-amine.

Molecular Properties

Compound Name3,3-dimethylhex-5-en-2-amine
PubChem CID130019272
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name3,3-dimethylhex-5-en-2-amine
SMILESC=CCC(C)(C)C(C)N
InChIInChI=1S/C8H17N/c1-5-6-8(3,4)7(2)9/h5,7H,1,6,9H2,2-4H3
InChIKeyVNAYYACIOWQZLD-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3,3-trimethyl-4-(2-methylpent-4-en-2-yl)pentane-1,5-diol
CID 88870818
2,2-dimethylbutane-1,3-diamine
CID 22255870
4,4-dimethylhept-6-en-3-ol
CID 74440422
(2S,3S)-2-amino-3-methylhex-5-en-3-ol;2,2,2-trifluoroacetic acid
CID 87235210
3,3,5,5-tetramethylhexan-2-amine
CID 143433307
N-ethenyl-3,4,4-trimethylhepta-1,6-dien-2-amine
CID 167078511
4,4-dimethylpent-1-ene;3,3,4-trimethylhexane
CID 153402313
1-aminoethyl 2-methyl-2-prop-2-enylpent-4-enoate
CID 174488655
1,2-bis(prop-2-enoxy)propan-1-amine
CID 88546500
(2R)-3-ethyl-3-methylpent-4-en-2-amine
CID 143354853
3-amino-2-methylhex-5-en-3-ol
CID 87728442
4,7-dimethyldeca-1,9-diene-4,7-diamine
CID 10774290

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylhex-5-en-2-amine?
The IUPAC name of 3,3-dimethylhex-5-en-2-amine (CID 130019272) is 3,3-dimethylhex-5-en-2-amine.
What is the SMILES notation for 3,3-dimethylhex-5-en-2-amine?
The canonical SMILES for 3,3-dimethylhex-5-en-2-amine is C=CCC(C)(C)C(C)N.
What is the InChIKey of 3,3-dimethylhex-5-en-2-amine?
The InChIKey is VNAYYACIOWQZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-5-6-8(3,4)7(2)9/h5,7H,1,6,9H2,2-4H3.
What are the key properties of 3,3-dimethylhex-5-en-2-amine?
3,3-dimethylhex-5-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylhex-5-en-2-amine is sourced from PubChem (CID 130019272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).