N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine

C13H29N — CID 58574228

IUPACN-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCCCN(CCC(C)C)CC(C)C
InChIInChI=1S/C13H29N/c1-6-7-9-14(11-13(4)5)10-8-12(2)3/h12-13H,6-11H2,1-5H3
InChIKeyYZUHSPOTYIRXBZ-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.79
Rot. Bonds8

About N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine

N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 58574228) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound NameN-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID58574228
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCCCN(CCC(C)C)CC(C)C
InChIInChI=1S/C13H29N/c1-6-7-9-14(11-13(4)5)10-8-12(2)3/h12-13H,6-11H2,1-5H3
InChIKeyYZUHSPOTYIRXBZ-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714
N-(3-methylbutyl)-N-octadecyloctadecan-1-amine
CID 139724073
N-heptyl-N-(3-methylbutyl)heptan-1-amine
CID 139723381
N-butyl-N-(2-chloroethyl)-3-methylbutan-1-amine
CID 63389517
1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride
CID 3040181
N,N-bis(2-methylpropyl)octan-1-amine
CID 3790364
N,N-bis(2-methylpropyl)decan-1-amine
CID 11265686
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
N,N-dibutyl-12-methyltridecan-1-amine
CID 139723221
N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine
CID 140903513
4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine
CID 139723855

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 58574228) is N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine is CCCCN(CCC(C)C)CC(C)C.
What is the InChIKey of N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is YZUHSPOTYIRXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-6-7-9-14(11-13(4)5)10-8-12(2)3/h12-13H,6-11H2,1-5H3.
What are the key properties of N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine?
N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 58574228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).