N-[[1-(1,4-oxazepan-4-ylmethyl)cyclopentyl]methyl]propan-2-amine

C15H30N2O — CID 62973187

IUPACN-[[1-(1,4-oxazepan-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCCOCC2)CCCC1
InChIInChI=1S/C15H30N2O/c1-14(2)16-12-15(6-3-4-7-15)13-17-8-5-10-18-11-9-17/h14,16H,3-13H2,1-2H3
InChIKeyNJOREEFPBHJIEO-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds5

About N-[[1-(1,4-oxazepan-4-ylmethyl)cyclopentyl]methyl]propan-2-amine

N-[[1-(1,4-oxazepan-4-ylmethyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 62973187) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[1-(1,4-oxazepan-4-ylmethyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1,4-oxazepan-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
PubChem CID62973187
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[1-(1,4-oxazepan-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCCOCC2)CCCC1
InChIInChI=1S/C15H30N2O/c1-14(2)16-12-15(6-3-4-7-15)13-17-8-5-10-18-11-9-17/h14,16H,3-13H2,1-2H3
InChIKeyNJOREEFPBHJIEO-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,4-oxazepan-4-ylmethyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1,4-oxazepan-4-ylmethyl)cyclopentyl]methyl]propan-2-amine (CID 62973187) is N-[[1-(1,4-oxazepan-4-ylmethyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1,4-oxazepan-4-ylmethyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1,4-oxazepan-4-ylmethyl)cyclopentyl]methyl]propan-2-amine is CC(C)NCC1(CN2CCCOCC2)CCCC1.
What is the InChIKey of N-[[1-(1,4-oxazepan-4-ylmethyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is NJOREEFPBHJIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2)16-12-15(6-3-4-7-15)13-17-8-5-10-18-11-9-17/h14,16H,3-13H2,1-2H3.
What are the key properties of N-[[1-(1,4-oxazepan-4-ylmethyl)cyclopentyl]methyl]propan-2-amine?
N-[[1-(1,4-oxazepan-4-ylmethyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,4-oxazepan-4-ylmethyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 62973187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).