N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine

C19H35NO — CID 102900330

IUPACN-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CC2CCC3(CCCCC3)O2)CCCC1
InChIInChI=1S/C19H35NO/c1-16(2)20-15-18(9-6-7-10-18)14-17-8-13-19(21-17)11-4-3-5-12-19/h16-17,20H,3-15H2,1-2H3
InChIKeyLOHWVLMKFQUGFN-UHFFFAOYSA-N
MW293.49 g/mol
LogP4.82
Rot. Bonds5

About N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine

N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 102900330) has the molecular formula C19H35NO and a molecular weight of 293.49 g/mol. Its IUPAC name is N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
PubChem CID102900330
Molecular FormulaC19H35NO
Molecular Weight293.49 g/mol
Exact Mass293.27
IUPAC NameN-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CC2CCC3(CCCCC3)O2)CCCC1
InChIInChI=1S/C19H35NO/c1-16(2)20-15-18(9-6-7-10-18)14-17-8-13-19(21-17)11-4-3-5-12-19/h16-17,20H,3-15H2,1-2H3
InChIKeyLOHWVLMKFQUGFN-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine (CID 102900330) is N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine is CC(C)NCC1(CC2CCC3(CCCCC3)O2)CCCC1.
What is the InChIKey of N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is LOHWVLMKFQUGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-16(2)20-15-18(9-6-7-10-18)14-17-8-13-19(21-17)11-4-3-5-12-19/h16-17,20H,3-15H2,1-2H3.
What are the key properties of N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine?
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 293.49 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 102900330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).