5-methyl-4-methylidenehexan-2-amine

C8H17N — CID 126496913

IUPAC5-methyl-4-methylidenehexan-2-amine
SMILESC=C(CC(C)N)C(C)C
InChIInChI=1S/C8H17N/c1-6(2)7(3)5-8(4)9/h6,8H,3,5,9H2,1-2,4H3
InChIKeyYSKIJCUGMFEAIA-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.94
Rot. Bonds3

About 5-methyl-4-methylidenehexan-2-amine

5-methyl-4-methylidenehexan-2-amine (PubChem CID 126496913) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 5-methyl-4-methylidenehexan-2-amine.

Molecular Properties

Compound Name5-methyl-4-methylidenehexan-2-amine
PubChem CID126496913
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name5-methyl-4-methylidenehexan-2-amine
SMILESC=C(CC(C)N)C(C)C
InChIInChI=1S/C8H17N/c1-6(2)7(3)5-8(4)9/h6,8H,3,5,9H2,1-2,4H3
InChIKeyYSKIJCUGMFEAIA-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

4-aminopent-1-en-2-ol;ethane
CID 144955296
3,6-dimethyl-5-methylidenehept-1-ene
CID 91477493
7-methyl-6-methylidene-1-N-propan-2-yloctane-1,4-diamine
CID 170040826
(1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol
CID 134966288
5-aminohex-1-en-3-one
CID 116555878
2-amino-6-methylideneoctan-4-one
CID 116556046
butan-2-amine;tetrakis(2-methylbut-1-ene)
CID 158391457
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
(3S)-3-aminobutanamide;hydrochloride
CID 57478871
7-methyl-6-methylideneoctan-1-amine
CID 129099714
2-methylpropanoyl 3-aminobutanoate
CID 174497316
(Z)-7-methyl-4-propan-2-yloct-4-en-2-amine
CID 55254142

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylidenehexan-2-amine?
The IUPAC name of 5-methyl-4-methylidenehexan-2-amine (CID 126496913) is 5-methyl-4-methylidenehexan-2-amine.
What is the SMILES notation for 5-methyl-4-methylidenehexan-2-amine?
The canonical SMILES for 5-methyl-4-methylidenehexan-2-amine is C=C(CC(C)N)C(C)C.
What is the InChIKey of 5-methyl-4-methylidenehexan-2-amine?
The InChIKey is YSKIJCUGMFEAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-6(2)7(3)5-8(4)9/h6,8H,3,5,9H2,1-2,4H3.
What are the key properties of 5-methyl-4-methylidenehexan-2-amine?
5-methyl-4-methylidenehexan-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 5-methyl-4-methylidenehexan-2-amine is sourced from PubChem (CID 126496913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).