(1S)-N,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine

C14H27N — CID 146394237

IUPAC(1S)-N,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
SMILESCCN[C@H]1CCC(CC)C2CCCCC21
InChIInChI=1S/C14H27N/c1-3-11-9-10-14(15-4-2)13-8-6-5-7-12(11)13/h11-15H,3-10H2,1-2H3/t11?,12?,13?,14-/m0/s1
InChIKeyPIWYPIAIAXPSHT-XOZUOACSSA-N
MW209.38 g/mol
LogP3.59
Rot. Bonds3

About (1S)-N,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine

(1S)-N,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine (PubChem CID 146394237) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (1S)-N,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-N,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
PubChem CID146394237
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(1S)-N,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
SMILESCCN[C@H]1CCC(CC)C2CCCCC21
InChIInChI=1S/C14H27N/c1-3-11-9-10-14(15-4-2)13-8-6-5-7-12(11)13/h11-15H,3-10H2,1-2H3/t11?,12?,13?,14-/m0/s1
InChIKeyPIWYPIAIAXPSHT-XOZUOACSSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-N,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine with MolForge

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Related Compounds

4-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
CID 164599276
N-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine
CID 81027467
N,2-diethylcycloheptan-1-amine;propan-1-ol
CID 71071624
N-ethyl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553478
2-(2-ethylcyclohexyl)cycloheptan-1-amine
CID 63861150
1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane
CID 143787282
1-chloro-2-(2-ethylcyclohexyl)cyclohexane
CID 63861688
1-N-ethylcyclononane-1,2-diamine
CID 123480411
3-cyclohexyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64909861
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268
trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
CID 93280859
1-ethyl-2-(2-ethylcyclopropyl)cyclobutane
CID 123502965

Frequently Asked Questions

What is the IUPAC name of (1S)-N,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
The IUPAC name of (1S)-N,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine (CID 146394237) is (1S)-N,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-N,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
The canonical SMILES for (1S)-N,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine is CCN[C@H]1CCC(CC)C2CCCCC21.
What is the InChIKey of (1S)-N,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
The InChIKey is PIWYPIAIAXPSHT-XOZUOACSSA-N. The full InChI is InChI=1S/C14H27N/c1-3-11-9-10-14(15-4-2)13-8-6-5-7-12(11)13/h11-15H,3-10H2,1-2H3/t11?,12?,13?,14-/m0/s1.
What are the key properties of (1S)-N,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine?
(1S)-N,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,4-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine is sourced from PubChem (CID 146394237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).