1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine

C19H35N — CID 104992511

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine
SMILESCCC1CCCC(C(N)C2CCC3CCCCC3C2)C1
InChIInChI=1S/C19H35N/c1-2-14-6-5-9-17(12-14)19(20)18-11-10-15-7-3-4-8-16(15)13-18/h14-19H,2-13,20H2,1H3
InChIKeyUGGSSPXRYWVMQI-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.14
Rot. Bonds3

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine (PubChem CID 104992511) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine
PubChem CID104992511
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine
SMILESCCC1CCCC(C(N)C2CCC3CCCCC3C2)C1
InChIInChI=1S/C19H35N/c1-2-14-6-5-9-17(12-14)19(20)18-11-10-15-7-3-4-8-16(15)13-18/h14-19H,2-13,20H2,1H3
InChIKeyUGGSSPXRYWVMQI-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine with MolForge

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Related Compounds

(3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105156191
7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane
CID 58552621
(3-ethylcyclopentyl)cyclohexane
CID 142208206
(3-ethylcyclohexyl)-(oxolan-2-yl)methanamine
CID 65331148
2-cyclopentylsulfanyl-1-(3-ethylcyclohexyl)ethanamine
CID 65139249
(3,5-dimethylcyclohexyl)-(3-ethylcyclopentyl)methanamine
CID 65411202
3-(3-ethylcyclohexyl)cyclohexan-1-amine
CID 64503181
1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
CID 79298507
(1,4-dimethylpiperazin-2-yl)-(3-ethylcyclohexyl)methanamine
CID 79658674
1-(3-ethylcyclohexyl)-2,2-dimethoxyethanamine
CID 79493446
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-amine
CID 107893950
1-(3-ethylcyclopentyl)ethanamine
CID 65411210

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine (CID 104992511) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine is CCC1CCCC(C(N)C2CCC3CCCCC3C2)C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine?
The InChIKey is UGGSSPXRYWVMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-2-14-6-5-9-17(12-14)19(20)18-11-10-15-7-3-4-8-16(15)13-18/h14-19H,2-13,20H2,1H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine has a molecular weight of 277.50 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylcyclohexyl)methanamine is sourced from PubChem (CID 104992511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).