4,6-dimethyl-5-methylideneheptan-1-amine

C10H21N — CID 135230946

IUPAC4,6-dimethyl-5-methylideneheptan-1-amine
SMILESC=C(C(C)C)C(C)CCCN
InChIInChI=1S/C10H21N/c1-8(2)10(4)9(3)6-5-7-11/h8-9H,4-7,11H2,1-3H3
InChIKeyXFBJDHDSUURVBD-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.57
Rot. Bonds5

About 4,6-dimethyl-5-methylideneheptan-1-amine

4,6-dimethyl-5-methylideneheptan-1-amine (PubChem CID 135230946) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 4,6-dimethyl-5-methylideneheptan-1-amine.

Molecular Properties

Compound Name4,6-dimethyl-5-methylideneheptan-1-amine
PubChem CID135230946
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name4,6-dimethyl-5-methylideneheptan-1-amine
SMILESC=C(C(C)C)C(C)CCCN
InChIInChI=1S/C10H21N/c1-8(2)10(4)9(3)6-5-7-11/h8-9H,4-7,11H2,1-3H3
InChIKeyXFBJDHDSUURVBD-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.57
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

5,7-dimethyl-6-methylideneoctan-1-amine
CID 129100170
7-amino-2,4-dimethylheptan-3-one
CID 116613359
5-methyl-4-methylidenenonane-1,9-diamine
CID 174330034
methyl (2S)-5-amino-2-methylpentanoate
CID 88555940
6-amino-3-methyl-2-oxohexanoic acid
CID 87328182
(2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid
CID 103868754
5-amino-N-butan-2-yl-2-methylpentanamide
CID 112515136
5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide
CID 104685574
7-methyl-6-methylideneoctan-1-amine
CID 129099714
8-methyl-7-methylidenenonan-1-amine
CID 174252779
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
9-amino-6-methylnon-1-en-5-one
CID 116613429

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-methylideneheptan-1-amine?
The IUPAC name of 4,6-dimethyl-5-methylideneheptan-1-amine (CID 135230946) is 4,6-dimethyl-5-methylideneheptan-1-amine.
What is the SMILES notation for 4,6-dimethyl-5-methylideneheptan-1-amine?
The canonical SMILES for 4,6-dimethyl-5-methylideneheptan-1-amine is C=C(C(C)C)C(C)CCCN.
What is the InChIKey of 4,6-dimethyl-5-methylideneheptan-1-amine?
The InChIKey is XFBJDHDSUURVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-8(2)10(4)9(3)6-5-7-11/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 4,6-dimethyl-5-methylideneheptan-1-amine?
4,6-dimethyl-5-methylideneheptan-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-methylideneheptan-1-amine is sourced from PubChem (CID 135230946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).