N-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine

C19H28N2O — CID 146475898

IUPACN-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCc1ccccc1CN1CCC2(CC1)CC(NC1CC1)CO2
InChIInChI=1S/C19H28N2O/c1-15-4-2-3-5-16(15)13-21-10-8-19(9-11-21)12-18(14-22-19)20-17-6-7-17/h2-5,17-18,20H,6-14H2,1H3
InChIKeyXKBFIDWZWPBPLQ-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.87
Rot. Bonds4

About N-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine

N-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 146475898) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID146475898
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCc1ccccc1CN1CCC2(CC1)CC(NC1CC1)CO2
InChIInChI=1S/C19H28N2O/c1-15-4-2-3-5-16(15)13-21-10-8-19(9-11-21)12-18(14-22-19)20-17-6-7-17/h2-5,17-18,20H,6-14H2,1H3
InChIKeyXKBFIDWZWPBPLQ-UHFFFAOYSA-N
XLogP2.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-methoxy-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97418757
(3R)-8-[(2-methylphenyl)methyl]-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97418922
8-[(2-methylphenyl)methyl]-3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 131639785
6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid
CID 146475853
4-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]-N'-hydrazinylbenzenecarboximidamide
CID 146475817
(5S)-5-(methoxymethyl)-9-[(2-methylphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 97475433
cyclopentyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
CID 155875065
N-[(4R)-9-[(2-chlorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 98894396
8-[(4-fluorophenyl)methyl]-N-[(1R,2R)-2-methylcyclopropyl]-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 166654998
N-[1-(2,3-dimethylphenyl)piperidin-4-yl]-1-oxa-8-azaspiro[4.5]decan-3-amine;dihydrochloride
CID 154914797
(3R)-8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 97418763
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of N-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 146475898) is N-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine is Cc1ccccc1CN1CCC2(CC1)CC(NC1CC1)CO2.
What is the InChIKey of N-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is XKBFIDWZWPBPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15-4-2-3-5-16(15)13-21-10-8-19(9-11-21)12-18(14-22-19)20-17-6-7-17/h2-5,17-18,20H,6-14H2,1H3.
What are the key properties of N-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine?
N-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 300.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 146475898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).