3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine

C14H31N — CID 145192300

IUPAC3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine
SMILESCCCN(CCC(C)CC)CC(C)CC
InChIInChI=1S/C14H31N/c1-6-10-15(12-14(5)8-3)11-9-13(4)7-2/h13-14H,6-12H2,1-5H3
InChIKeyAHCPMMSWTISMBO-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.18
Rot. Bonds9

About 3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine

3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine (PubChem CID 145192300) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine
PubChem CID145192300
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine
SMILESCCCN(CCC(C)CC)CC(C)CC
InChIInChI=1S/C14H31N/c1-6-10-15(12-14(5)8-3)11-9-13(4)7-2/h13-14H,6-12H2,1-5H3
InChIKeyAHCPMMSWTISMBO-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-methyl-N-propylpentan-1-amine
CID 126690332
N',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine
CID 23198614
4-(dipropylamino)-3-methylbutane-1-thiol
CID 23362434
3-methyl-N-[(E)-2-methylbut-2-enyl]-N-propylpentan-1-amine
CID 145355662
N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine
CID 81080503
(3S)-N,3-dimethyl-N-propylpentan-1-amine
CID 144585217
N-ethyl-4-methyl-N-propylhexan-1-amine
CID 142891130
4-[ethyl(2-methylbutyl)amino]butan-2-ol
CID 79482541
N-butan-2-yl-2-methyl-N-propylbutan-1-amine
CID 176917771
N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287
2-methyl-N,N-dipropylhex-5-en-1-amine
CID 143366711
ethane;2-ethyl-N,N-dipropylbutan-1-amine
CID 145001247

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine (CID 145192300) is 3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine is CCCN(CCC(C)CC)CC(C)CC.
What is the InChIKey of 3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine?
The InChIKey is AHCPMMSWTISMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-6-10-15(12-14(5)8-3)11-9-13(4)7-2/h13-14H,6-12H2,1-5H3.
What are the key properties of 3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine?
3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine is sourced from PubChem (CID 145192300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).