(3S)-N-ethyl-N,3-dimethylpentan-1-amine

C9H21N — CID 89357634

IUPAC(3S)-N-ethyl-N,3-dimethylpentan-1-amine
SMILESCC[C@H](C)CCN(C)CC
InChIInChI=1S/C9H21N/c1-5-9(3)7-8-10(4)6-2/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyVOZWXDWNTANOST-VIFPVBQESA-N
MW143.27 g/mol
LogP2.37
Rot. Bonds5

About (3S)-N-ethyl-N,3-dimethylpentan-1-amine

(3S)-N-ethyl-N,3-dimethylpentan-1-amine (PubChem CID 89357634) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is (3S)-N-ethyl-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name(3S)-N-ethyl-N,3-dimethylpentan-1-amine
PubChem CID89357634
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name(3S)-N-ethyl-N,3-dimethylpentan-1-amine
SMILESCC[C@H](C)CCN(C)CC
InChIInChI=1S/C9H21N/c1-5-9(3)7-8-10(4)6-2/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyVOZWXDWNTANOST-VIFPVBQESA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N,3,5-trimethylheptan-1-amine
CID 123997066
(3S)-N,3-dimethyl-N-propylpentan-1-amine
CID 144585217
N'-ethyl-N',2-dimethylbutane-1,4-diamine
CID 81079542
N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 176934271
1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine
CID 170117708
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
N-ethyl-N'-methyl-N'-(3-methylpentyl)ethane-1,2-diamine
CID 114874682
(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
(3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride
CID 176934799
N-ethyl-3-methyl-N-propylpentan-1-amine
CID 126690332
N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine
CID 171788339
N-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine
CID 163258522

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-N,3-dimethylpentan-1-amine?
The IUPAC name of (3S)-N-ethyl-N,3-dimethylpentan-1-amine (CID 89357634) is (3S)-N-ethyl-N,3-dimethylpentan-1-amine.
What is the SMILES notation for (3S)-N-ethyl-N,3-dimethylpentan-1-amine?
The canonical SMILES for (3S)-N-ethyl-N,3-dimethylpentan-1-amine is CC[C@H](C)CCN(C)CC.
What is the InChIKey of (3S)-N-ethyl-N,3-dimethylpentan-1-amine?
The InChIKey is VOZWXDWNTANOST-VIFPVBQESA-N. The full InChI is InChI=1S/C9H21N/c1-5-9(3)7-8-10(4)6-2/h9H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of (3S)-N-ethyl-N,3-dimethylpentan-1-amine?
(3S)-N-ethyl-N,3-dimethylpentan-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 89357634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).