ethane;5-methylheptan-1-amine

C10H25N — CID 143088899

IUPACethane;5-methylheptan-1-amine
SMILESCC.CCC(C)CCCCN
InChIInChI=1S/C8H19N.C2H6/c1-3-8(2)6-4-5-7-9;1-2/h8H,3-7,9H2,1-2H3;1-2H3
InChIKeyWNLYIUBHQRGRBU-UHFFFAOYSA-N
MW159.32 g/mol
LogP3.19
Rot. Bonds5

About ethane;5-methylheptan-1-amine

ethane;5-methylheptan-1-amine (PubChem CID 143088899) has the molecular formula C10H25N and a molecular weight of 159.32 g/mol. Its IUPAC name is ethane;5-methylheptan-1-amine.

Molecular Properties

Compound Nameethane;5-methylheptan-1-amine
PubChem CID143088899
Molecular FormulaC10H25N
Molecular Weight159.32 g/mol
Exact Mass159.20
IUPAC Nameethane;5-methylheptan-1-amine
SMILESCC.CCC(C)CCCCN
InChIInChI=1S/C8H19N.C2H6/c1-3-8(2)6-4-5-7-9;1-2/h8H,3-7,9H2,1-2H3;1-2H3
InChIKeyWNLYIUBHQRGRBU-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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hexane;3-methylnonane
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(3R)-3-methylhexacosane
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(3R)-3-methyloctadecane
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3-ethyl-8-methyldecane
CID 57490930
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
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9-amino-5-methylnonan-1-ol
CID 57209196

Frequently Asked Questions

What is the IUPAC name of ethane;5-methylheptan-1-amine?
The IUPAC name of ethane;5-methylheptan-1-amine (CID 143088899) is ethane;5-methylheptan-1-amine.
What is the SMILES notation for ethane;5-methylheptan-1-amine?
The canonical SMILES for ethane;5-methylheptan-1-amine is CC.CCC(C)CCCCN.
What is the InChIKey of ethane;5-methylheptan-1-amine?
The InChIKey is WNLYIUBHQRGRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C2H6/c1-3-8(2)6-4-5-7-9;1-2/h8H,3-7,9H2,1-2H3;1-2H3.
What are the key properties of ethane;5-methylheptan-1-amine?
ethane;5-methylheptan-1-amine has a molecular weight of 159.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylheptan-1-amine is sourced from PubChem (CID 143088899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).