N-butyl-N,4,4-trimethyl-2-methylidenepentan-1-amine

C13H27N — CID 129311029

IUPACN-butyl-N,4,4-trimethyl-2-methylidenepentan-1-amine
SMILESC=C(CN(C)CCCC)CC(C)(C)C
InChIInChI=1S/C13H27N/c1-7-8-9-14(6)11-12(2)10-13(3,4)5/h2,7-11H2,1,3-6H3
InChIKeyDMDACGGDEGYVEU-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.71
Rot. Bonds6

About N-butyl-N,4,4-trimethyl-2-methylidenepentan-1-amine

N-butyl-N,4,4-trimethyl-2-methylidenepentan-1-amine (PubChem CID 129311029) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-butyl-N,4,4-trimethyl-2-methylidenepentan-1-amine.

Molecular Properties

Compound NameN-butyl-N,4,4-trimethyl-2-methylidenepentan-1-amine
PubChem CID129311029
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-butyl-N,4,4-trimethyl-2-methylidenepentan-1-amine
SMILESC=C(CN(C)CCCC)CC(C)(C)C
InChIInChI=1S/C13H27N/c1-7-8-9-14(6)11-12(2)10-13(3,4)5/h2,7-11H2,1,3-6H3
InChIKeyDMDACGGDEGYVEU-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[butyl(methyl)amino]methyl]prop-2-ene-1-thiol
CID 103073241
N-butyl-N,4,4-trimethylpentan-1-amine
CID 58300817
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CID 20788988
1-[butyl(methyl)amino]propan-2-one
CID 43219631
2-[butyl(methyl)amino]acetamide
CID 22371777
2-[butyl(methyl)amino]acetyl chloride
CID 39248237
N'-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069294
N-methyl-6-methylidene-N-octyloctadecan-1-amine
CID 154642833
N-butyl-N-methylpentan-1-amine
CID 54060013
1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine
CID 90395287
2-[butyl(methyl)amino]-N-methylacetamide
CID 123914364
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,4,4-trimethyl-2-methylidenepentan-1-amine?
The IUPAC name of N-butyl-N,4,4-trimethyl-2-methylidenepentan-1-amine (CID 129311029) is N-butyl-N,4,4-trimethyl-2-methylidenepentan-1-amine.
What is the SMILES notation for N-butyl-N,4,4-trimethyl-2-methylidenepentan-1-amine?
The canonical SMILES for N-butyl-N,4,4-trimethyl-2-methylidenepentan-1-amine is C=C(CN(C)CCCC)CC(C)(C)C.
What is the InChIKey of N-butyl-N,4,4-trimethyl-2-methylidenepentan-1-amine?
The InChIKey is DMDACGGDEGYVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-7-8-9-14(6)11-12(2)10-13(3,4)5/h2,7-11H2,1,3-6H3.
What are the key properties of N-butyl-N,4,4-trimethyl-2-methylidenepentan-1-amine?
N-butyl-N,4,4-trimethyl-2-methylidenepentan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,4,4-trimethyl-2-methylidenepentan-1-amine is sourced from PubChem (CID 129311029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).