4-methyl-N-(3-methylbutyl)pentan-2-amine

C11H25N — CID 21355637

IUPAC4-methyl-N-(3-methylbutyl)pentan-2-amine
SMILESCC(C)CCNC(C)CC(C)C
InChIInChI=1S/C11H25N/c1-9(2)6-7-12-11(5)8-10(3)4/h9-12H,6-8H2,1-5H3
InChIKeyMXHZLXANXMRFME-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.06
Rot. Bonds6

About 4-methyl-N-(3-methylbutyl)pentan-2-amine

4-methyl-N-(3-methylbutyl)pentan-2-amine (PubChem CID 21355637) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbutyl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylbutyl)pentan-2-amine
PubChem CID21355637
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name4-methyl-N-(3-methylbutyl)pentan-2-amine
SMILESCC(C)CCNC(C)CC(C)C
InChIInChI=1S/C11H25N/c1-9(2)6-7-12-11(5)8-10(3)4/h9-12H,6-8H2,1-5H3
InChIKeyMXHZLXANXMRFME-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[(2R)-4-methylpentan-2-yl]amino]butan-2-ol
CID 59085020
5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine
CID 115324441
(2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine
CID 38989018
N-butan-2-yl-3-methylbutan-1-amine;ethane
CID 142990947
3,5,5-trimethyl-N-[(2S)-4-methylpentan-2-yl]hexan-1-amine
CID 59084965
1-chloro-4-methyl-N-(3-methylbutyl)pentan-2-amine
CID 65025886
(2S)-4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine
CID 59084806
4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine
CID 60920037
methanamine;3-methyl-N-propan-2-ylbutan-1-amine
CID 169260441
tert-butyl N-[4-(4-methylpentan-2-ylamino)butan-2-yl]carbamate
CID 103901742
4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
2-(3-methylbutylamino)propane-1,3-diol
CID 22723330

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbutyl)pentan-2-amine?
The IUPAC name of 4-methyl-N-(3-methylbutyl)pentan-2-amine (CID 21355637) is 4-methyl-N-(3-methylbutyl)pentan-2-amine.
What is the SMILES notation for 4-methyl-N-(3-methylbutyl)pentan-2-amine?
The canonical SMILES for 4-methyl-N-(3-methylbutyl)pentan-2-amine is CC(C)CCNC(C)CC(C)C.
What is the InChIKey of 4-methyl-N-(3-methylbutyl)pentan-2-amine?
The InChIKey is MXHZLXANXMRFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-9(2)6-7-12-11(5)8-10(3)4/h9-12H,6-8H2,1-5H3.
What are the key properties of 4-methyl-N-(3-methylbutyl)pentan-2-amine?
4-methyl-N-(3-methylbutyl)pentan-2-amine has a molecular weight of 171.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbutyl)pentan-2-amine is sourced from PubChem (CID 21355637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).