N,N-diethyl-4-methylpentan-2-amine

C10H23N — CID 20977101

IUPACN,N-diethyl-4-methylpentan-2-amine
SMILESCCN(CC)C(C)CC(C)C
InChIInChI=1S/C10H23N/c1-6-11(7-2)10(5)8-9(3)4/h9-10H,6-8H2,1-5H3
InChIKeyHHCBICQSEGAFEM-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.76
Rot. Bonds5

About N,N-diethyl-4-methylpentan-2-amine

N,N-diethyl-4-methylpentan-2-amine (PubChem CID 20977101) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is N,N-diethyl-4-methylpentan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-methylpentan-2-amine
PubChem CID20977101
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC NameN,N-diethyl-4-methylpentan-2-amine
SMILESCCN(CC)C(C)CC(C)C
InChIInChI=1S/C10H23N/c1-6-11(7-2)10(5)8-9(3)4/h9-10H,6-8H2,1-5H3
InChIKeyHHCBICQSEGAFEM-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-isopropyl-N,N,2,-trimethylpropylamine
CID 6453029
N,N-Diisopropylisobutylamine
CID 3312177
(2S)-1-fluoro-N,4-dimethyl-N-prop-2-ynylpentan-2-amine
CID 71508638
N-(3-methylbutyl)diethylamine
CID 199672
(2S)-1-(18F)fluoro-N,4-dimethyl-N-prop-2-ynylpentan-2-amine
CID 71508639
(2S)-1-(19F)fluoro-N,4-dimethyl-N-prop-2-ynylpentan-2-amine
CID 71718800
1,2,5-Trimethylpiperidine
CID 338922
N,N,2-trimethylpentan-1-amine
CID 3600718
Diethyl-(2-methyl-hexyl)-amine
CID 21965431
N-methyl-N-(3-methylbutyl)-1-propanamine
CID 59962235
(2-methylbutyl)-N,N'-diethylamine
CID 13315691
Isoamyldibutylamine
CID 20558830

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methylpentan-2-amine?
The IUPAC name of N,N-diethyl-4-methylpentan-2-amine (CID 20977101) is N,N-diethyl-4-methylpentan-2-amine.
What is the SMILES notation for N,N-diethyl-4-methylpentan-2-amine?
The canonical SMILES for N,N-diethyl-4-methylpentan-2-amine is CCN(CC)C(C)CC(C)C.
What is the InChIKey of N,N-diethyl-4-methylpentan-2-amine?
The InChIKey is HHCBICQSEGAFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-6-11(7-2)10(5)8-9(3)4/h9-10H,6-8H2,1-5H3.
What are the key properties of N,N-diethyl-4-methylpentan-2-amine?
N,N-diethyl-4-methylpentan-2-amine has a molecular weight of 157.30 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methylpentan-2-amine is sourced from PubChem (CID 20977101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).