N-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine

C18H33N — CID 102951540

IUPACN-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine
SMILESCCC1CCC(CNC2CCC23CCCCC3)CC1
InChIInChI=1S/C18H33N/c1-2-15-6-8-16(9-7-15)14-19-17-10-13-18(17)11-4-3-5-12-18/h15-17,19H,2-14H2,1H3
InChIKeyHCMKBTUGVVUKBX-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.91
Rot. Bonds4

About N-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine

N-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine (PubChem CID 102951540) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine
PubChem CID102951540
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine
SMILESCCC1CCC(CNC2CCC23CCCCC3)CC1
InChIInChI=1S/C18H33N/c1-2-15-6-8-16(9-7-15)14-19-17-10-13-18(17)11-4-3-5-12-18/h15-17,19H,2-14H2,1H3
InChIKeyHCMKBTUGVVUKBX-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(azetidin-2-ylmethyl)spiro[3.4]octan-3-amine
CID 164658812
1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol
CID 102951950
N-(2-methylpropyl)spiro[3.4]octan-3-amine
CID 131207014
N-(2-fluoroethyl)spiro[3.5]nonan-3-amine
CID 130503965
N'-methyl-N'-propan-2-yl-N-spiro[3.5]nonan-3-ylethane-1,2-diamine
CID 102951849
1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol
CID 102952417
1-[[(4-ethylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 63490303
N-methylspiro[3.5]nonan-3-amine
CID 102951104
4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
CID 55192738
N-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79860846
N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine
CID 128875139
N-(1-cyclopropylpropan-2-yl)spiro[3.5]nonan-3-amine
CID 102951940

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine (CID 102951540) is N-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine is CCC1CCC(CNC2CCC23CCCCC3)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine?
The InChIKey is HCMKBTUGVVUKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-2-15-6-8-16(9-7-15)14-19-17-10-13-18(17)11-4-3-5-12-18/h15-17,19H,2-14H2,1H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine?
N-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine has a molecular weight of 263.47 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102951540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).