2-butyl-2-(methoxymethyl)heptan-1-amine

C13H29NO — CID 139927584

IUPAC2-butyl-2-(methoxymethyl)heptan-1-amine
SMILESCCCCCC(CN)(CCCC)COC
InChIInChI=1S/C13H29NO/c1-4-6-8-10-13(11-14,12-15-3)9-7-5-2/h4-12,14H2,1-3H3
InChIKeyJNVPDDNFYZLSAK-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.35
Rot. Bonds10

About 2-butyl-2-(methoxymethyl)heptan-1-amine

2-butyl-2-(methoxymethyl)heptan-1-amine (PubChem CID 139927584) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-butyl-2-(methoxymethyl)heptan-1-amine.

Molecular Properties

Compound Name2-butyl-2-(methoxymethyl)heptan-1-amine
PubChem CID139927584
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-butyl-2-(methoxymethyl)heptan-1-amine
SMILESCCCCCC(CN)(CCCC)COC
InChIInChI=1S/C13H29NO/c1-4-6-8-10-13(11-14,12-15-3)9-7-5-2/h4-12,14H2,1-3H3
InChIKeyJNVPDDNFYZLSAK-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-Methoxyethyl)cyclopentyl]methanamine
CID 62723492
[1-(2-Ethoxyethyl)cyclopentyl]methanamine
CID 62724287
2-Methyl-2-(oxan-2-yl)propan-1-amine
CID 71756037
1-[1-(Methoxymethyl)cycloheptyl]methanamine
CID 83905890
2-(Aminomethyl)-2-hexyloctan-1-ol
CID 11615677
2-Aminomethyl-2-butylhexane-1-ol
CID 11658412
2-Aminomethyl-2-pentylheptan-1-ol
CID 102474350
2-Aminomethyl-2-octyldecan-1-ol
CID 102474353
10-Ethoxy-9,9-dimethyldecan-1-amine
CID 3085386
14-Ethoxy-13,13-dimethyltetradecan-1-amine
CID 111508
4-Fluoro-4-(methoxymethyl)dodecan-1-amine
CID 103392406
4-Fluoro-4-(methoxymethyl)undecan-1-amine
CID 103392444

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-(methoxymethyl)heptan-1-amine?
The IUPAC name of 2-butyl-2-(methoxymethyl)heptan-1-amine (CID 139927584) is 2-butyl-2-(methoxymethyl)heptan-1-amine.
What is the SMILES notation for 2-butyl-2-(methoxymethyl)heptan-1-amine?
The canonical SMILES for 2-butyl-2-(methoxymethyl)heptan-1-amine is CCCCCC(CN)(CCCC)COC.
What is the InChIKey of 2-butyl-2-(methoxymethyl)heptan-1-amine?
The InChIKey is JNVPDDNFYZLSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-4-6-8-10-13(11-14,12-15-3)9-7-5-2/h4-12,14H2,1-3H3.
What are the key properties of 2-butyl-2-(methoxymethyl)heptan-1-amine?
2-butyl-2-(methoxymethyl)heptan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.35, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-(methoxymethyl)heptan-1-amine is sourced from PubChem (CID 139927584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).