N,3-diethyl-5-methylhexan-2-amine

C11H25N — CID 54129064

IUPACN,3-diethyl-5-methylhexan-2-amine
SMILESCCNC(C)C(CC)CC(C)C
InChIInChI=1S/C11H25N/c1-6-11(8-9(3)4)10(5)12-7-2/h9-12H,6-8H2,1-5H3
InChIKeyNTAQIJWQFHUCED-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.06
Rot. Bonds6

About N,3-diethyl-5-methylhexan-2-amine

N,3-diethyl-5-methylhexan-2-amine (PubChem CID 54129064) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N,3-diethyl-5-methylhexan-2-amine.

Molecular Properties

Compound NameN,3-diethyl-5-methylhexan-2-amine
PubChem CID54129064
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN,3-diethyl-5-methylhexan-2-amine
SMILESCCNC(C)C(CC)CC(C)C
InChIInChI=1S/C11H25N/c1-6-11(8-9(3)4)10(5)12-7-2/h9-12H,6-8H2,1-5H3
InChIKeyNTAQIJWQFHUCED-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

N,3-diethyl-5-(2-methylpropoxy)pentan-2-amine
CID 106454434
5-ethyl-2,3,4,7-tetramethyloctane
CID 57492474
N-ethyl-4-phosphanyl-3-(phosphanylmethyl)butan-2-amine
CID 167265336
N,3-diethyl-6,6-dimethylheptan-2-amine
CID 61481134
5-ethoxy-N,3-diethylpentan-2-amine
CID 60999530
3,5-diethyl-N-propylheptan-2-amine
CID 82928149
N-ethyl-2,5-dimethylheptan-4-amine
CID 63717421
N,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 112590492
6-ethyl-2-methyl-4-pentan-3-yloctane
CID 123821034
3-chloro-N-ethylpentan-2-amine
CID 131140480
(3R)-N-ethyl-2,5-dimethylhexan-3-amine
CID 59084835
bis(3-ethyl-2,5-dimethylhexane);2,3,5-trimethylhexane
CID 158124922

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-5-methylhexan-2-amine?
The IUPAC name of N,3-diethyl-5-methylhexan-2-amine (CID 54129064) is N,3-diethyl-5-methylhexan-2-amine.
What is the SMILES notation for N,3-diethyl-5-methylhexan-2-amine?
The canonical SMILES for N,3-diethyl-5-methylhexan-2-amine is CCNC(C)C(CC)CC(C)C.
What is the InChIKey of N,3-diethyl-5-methylhexan-2-amine?
The InChIKey is NTAQIJWQFHUCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-6-11(8-9(3)4)10(5)12-7-2/h9-12H,6-8H2,1-5H3.
What are the key properties of N,3-diethyl-5-methylhexan-2-amine?
N,3-diethyl-5-methylhexan-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 N,3-diethyl-5-methylhexan-2-amine is sourced from PubChem (CID 54129064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).