N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine

C16H30N2O — CID 63624675

IUPACN-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCC1CCCN(CC2(CNC3CC3)CCOC2)CC1
InChIInChI=1S/C16H30N2O/c1-14-3-2-8-18(9-6-14)12-16(7-10-19-13-16)11-17-15-4-5-15/h14-15,17H,2-13H2,1H3
InChIKeyBCJJVKBPCOTDHJ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.27
Rot. Bonds5

About N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine

N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 63624675) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID63624675
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCC1CCCN(CC2(CNC3CC3)CCOC2)CC1
InChIInChI=1S/C16H30N2O/c1-14-3-2-8-18(9-6-14)12-16(7-10-19-13-16)11-17-15-4-5-15/h14-15,17H,2-13H2,1H3
InChIKeyBCJJVKBPCOTDHJ-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
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-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 63624675) is N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is CC1CCCN(CC2(CNC3CC3)CCOC2)CC1.
What is the InChIKey of N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is BCJJVKBPCOTDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14-3-2-8-18(9-6-14)12-16(7-10-19-13-16)11-17-15-4-5-15/h14-15,17H,2-13H2,1H3.
What are the key properties of N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 266.43 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-[[3-[(4-methylazepan-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63624675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).