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

C11H23N — CID 171506165

IUPAC(3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine
SMILESCCN(C)C1CCCC[C@H](C)C1
InChIInChI=1S/C11H23N/c1-4-12(3)11-8-6-5-7-10(2)9-11/h10-11H,4-9H2,1-3H3/t10-,11?/m0/s1
InChIKeyYSOYIDMZPYRRBE-VUWPPUDQSA-N
MW169.31 g/mol
LogP2.91
Rot. Bonds2

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

(3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine (PubChem CID 171506165) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name(3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine
PubChem CID171506165
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine
SMILESCCN(C)C1CCCC[C@H](C)C1
InChIInChI=1S/C11H23N/c1-4-12(3)11-8-6-5-7-10(2)9-11/h10-11H,4-9H2,1-3H3/t10-,11?/m0/s1
InChIKeyYSOYIDMZPYRRBE-VUWPPUDQSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 2846615
N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine
CID 7074573
ethane;N-ethyl-N-methylcyclohexanamine
CID 143070425
carbanide;N-ethyl-N-methylcyclobutanamine;tungsten(2+)
CID 170793114
cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
CID 142193437
N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62554542
trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide
CID 63701764
2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 62610260
3-[methyl-(3-methylcyclohexyl)amino]propan-1-ol
CID 60969986
potassium trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide
CID 63701763
N-(3,3-diethoxypropyl)-N,3-dimethylcyclohexan-1-amine
CID 63630283
N-cyclopropyl-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 61447072

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine?
The IUPAC name of (3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine (CID 171506165) is (3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine.
What is the SMILES notation for (3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine?
The canonical SMILES for (3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine is CCN(C)C1CCCC[C@H](C)C1.
What is the InChIKey of (3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine?
The InChIKey is YSOYIDMZPYRRBE-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H23N/c1-4-12(3)11-8-6-5-7-10(2)9-11/h10-11H,4-9H2,1-3H3/t10-,11?/m0/s1.
What are the key properties of (3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine?
(3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.91, 2 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-dimethylcycloheptan-1-amine is sourced from PubChem (CID 171506165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).