N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine

C17H26N2O — CID 62974101

IUPACN-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCC1CN(Cc2ccc(CNC3CC3)cc2)CCCO1
InChIInChI=1S/C17H26N2O/c1-14-12-19(9-2-10-20-14)13-16-5-3-15(4-6-16)11-18-17-7-8-17/h3-6,14,17-18H,2,7-13H2,1H3
InChIKeyAWIKXIZAHXEOKT-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.55
Rot. Bonds5

About N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine

N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62974101) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine
PubChem CID62974101
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCC1CN(Cc2ccc(CNC3CC3)cc2)CCCO1
InChIInChI=1S/C17H26N2O/c1-14-12-19(9-2-10-20-14)13-16-5-3-15(4-6-16)11-18-17-7-8-17/h3-6,14,17-18H,2,7-13H2,1H3
InChIKeyAWIKXIZAHXEOKT-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62974113
N-[[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62973751
N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906469
N-[2-[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105347604
N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 114540058
N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-1-propylpiperidin-4-amine
CID 97230593
4-[(2-chloro-4-pyridinyl)methyl]-2-methyl-1,4-oxazepane
CID 62988182
N-ethyl-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-2-amine
CID 62972985
N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine
CID 62973922
N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423801
N-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 43544881
N-[[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 62972720

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine (CID 62974101) is N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine is CC1CN(Cc2ccc(CNC3CC3)cc2)CCCO1.
What is the InChIKey of N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is AWIKXIZAHXEOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-12-19(9-2-10-20-14)13-16-5-3-15(4-6-16)11-18-17-7-8-17/h3-6,14,17-18H,2,7-13H2,1H3.
What are the key properties of N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine?
N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62974101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).