N-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine

C19H35NO — CID 102900242

IUPACN-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine
SMILESCC(C)CC(CNC1CC1)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C19H35NO/c1-15(2)12-16(14-20-17-6-7-17)13-18-8-11-19(21-18)9-4-3-5-10-19/h15-18,20H,3-14H2,1-2H3
InChIKeyZJWJSJVIJNHKHG-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.67
Rot. Bonds7

About N-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine

N-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine (PubChem CID 102900242) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine
PubChem CID102900242
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC NameN-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine
SMILESCC(C)CC(CNC1CC1)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C19H35NO/c1-15(2)12-16(14-20-17-6-7-17)13-18-8-11-19(21-18)9-4-3-5-10-19/h15-18,20H,3-14H2,1-2H3
InChIKeyZJWJSJVIJNHKHG-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylamino)-3-(1-oxaspiro[4.5]decan-2-yl)propan-2-ol
CID 102901951
N-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine
CID 102900503
N-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine
CID 102900256
N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine
CID 62530308
3-methyl-N-(2-methylpropyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900270
4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine
CID 102896817
2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine
CID 102900542
4-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentanoic acid
CID 102899293
2-(3-chloro-2-methylbutyl)-1-oxaspiro[4.5]decane
CID 102899907
N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentanamine
CID 102896553
2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900792
N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine
CID 102901359

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine?
The IUPAC name of N-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine (CID 102900242) is N-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine?
The canonical SMILES for N-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine is CC(C)CC(CNC1CC1)CC1CCC2(CCCCC2)O1.
What is the InChIKey of N-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine?
The InChIKey is ZJWJSJVIJNHKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-15(2)12-16(14-20-17-6-7-17)13-18-8-11-19(21-18)9-4-3-5-10-19/h15-18,20H,3-14H2,1-2H3.
What are the key properties of N-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine?
N-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine has a molecular weight of 293.50 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine is sourced from PubChem (CID 102900242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).