N-butyl-N-methylnonan-5-amine

C14H31N — CID 175231488

IUPACN-butyl-N-methylnonan-5-amine
SMILESCCCCC(CCCC)N(C)CCCC
InChIInChI=1S/C14H31N/c1-5-8-11-14(12-9-6-2)15(4)13-10-7-3/h14H,5-13H2,1-4H3
InChIKeyMLHJTPHNRQYDCH-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.47
Rot. Bonds10

About N-butyl-N-methylnonan-5-amine

N-butyl-N-methylnonan-5-amine (PubChem CID 175231488) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N-butyl-N-methylnonan-5-amine.

Molecular Properties

Compound NameN-butyl-N-methylnonan-5-amine
PubChem CID175231488
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN-butyl-N-methylnonan-5-amine
SMILESCCCCC(CCCC)N(C)CCCC
InChIInChI=1S/C14H31N/c1-5-8-11-14(12-9-6-2)15(4)13-10-7-3/h14H,5-13H2,1-4H3
InChIKeyMLHJTPHNRQYDCH-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N'-butyl-1-N'-methylpentane-1,1-diamine
CID 91621881
2-[hexacosan-13-yl(methyl)amino]ethanol
CID 87981075
3-N-butyl-1-N,3-N-dimethylpentane-1,3-diamine
CID 142275880
4-[heptan-4-yl(methyl)amino]butan-1-ol
CID 88539723
(6Z,9Z,28Z,31Z)-N-methyl-N-[(9Z,12Z)-octadeca-9,12-dienyl]heptatriaconta-6,9,28,31-tetraen-19-amine
CID 134205277
1-N-tert-butyl-2-N-butyl-2-N-methylpentane-1,2-diamine
CID 83042715
N,N-dimethylicosan-5-amine
CID 19862397
2-N-(2-methoxyethyl)-2-N-methyloctane-1,2-diamine
CID 61427745
1-N,1-N,2-N,2-N-tetrabutylhexane-1,2-diamine
CID 175078779
1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine
CID 91061045
N,N-diaminononan-5-amine
CID 88511755
N-(1-chloropropan-2-yl)-N-methylbutan-1-amine
CID 104555107

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylnonan-5-amine?
The IUPAC name of N-butyl-N-methylnonan-5-amine (CID 175231488) is N-butyl-N-methylnonan-5-amine.
What is the SMILES notation for N-butyl-N-methylnonan-5-amine?
The canonical SMILES for N-butyl-N-methylnonan-5-amine is CCCCC(CCCC)N(C)CCCC.
What is the InChIKey of N-butyl-N-methylnonan-5-amine?
The InChIKey is MLHJTPHNRQYDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-5-8-11-14(12-9-6-2)15(4)13-10-7-3/h14H,5-13H2,1-4H3.
What are the key properties of N-butyl-N-methylnonan-5-amine?
N-butyl-N-methylnonan-5-amine has a molecular weight of 213.41 g/mol, XLogP of 4.47, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylnonan-5-amine is sourced from PubChem (CID 175231488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).