N-butyl-N,4-dimethylpentan-1-amine

C11H25N — CID 88539043

IUPACN-butyl-N,4-dimethylpentan-1-amine
SMILESCCCCN(C)CCCC(C)C
InChIInChI=1S/C11H25N/c1-5-6-9-12(4)10-7-8-11(2)3/h11H,5-10H2,1-4H3
InChIKeyBDANZTGAXKFUEX-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.15
Rot. Bonds7

About N-butyl-N,4-dimethylpentan-1-amine

N-butyl-N,4-dimethylpentan-1-amine (PubChem CID 88539043) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N-butyl-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-butyl-N,4-dimethylpentan-1-amine
PubChem CID88539043
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN-butyl-N,4-dimethylpentan-1-amine
SMILESCCCCN(C)CCCC(C)C
InChIInChI=1S/C11H25N/c1-5-6-9-12(4)10-7-8-11(2)3/h11H,5-10H2,1-4H3
InChIKeyBDANZTGAXKFUEX-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chloroethyl)-N,4-dimethylpentan-1-amine
CID 83168960
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine
CID 90943925
decane;ethene;N-methyl-N-(7-methyloctyl)-8-octylhexadecan-1-amine;propane
CID 142378872
N-butyl-N-methylpentan-1-amine
CID 54060013
4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine
CID 139723855
N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine
CID 115202176
N,N-dibutyl-12-methyltridecan-1-amine
CID 139723221
N,N-bis(4-methylpentyl)nonan-1-amine
CID 139723744
3-[butyl(methyl)amino]propane-1,1-diol
CID 87637565
N-(4-methylpentyl)-N-octyloctan-1-amine
CID 139723154
N,N-bis(4-methylpentyl)octadecan-1-amine
CID 139723718

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,4-dimethylpentan-1-amine?
The IUPAC name of N-butyl-N,4-dimethylpentan-1-amine (CID 88539043) is N-butyl-N,4-dimethylpentan-1-amine.
What is the SMILES notation for N-butyl-N,4-dimethylpentan-1-amine?
The canonical SMILES for N-butyl-N,4-dimethylpentan-1-amine is CCCCN(C)CCCC(C)C.
What is the InChIKey of N-butyl-N,4-dimethylpentan-1-amine?
The InChIKey is BDANZTGAXKFUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-5-6-9-12(4)10-7-8-11(2)3/h11H,5-10H2,1-4H3.
What are the key properties of N-butyl-N,4-dimethylpentan-1-amine?
N-butyl-N,4-dimethylpentan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 88539043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).