N,N-dimethyl-1-(1,4-oxazepan-2-yl)methanamine

C8H18N2O — CID 15056611

IUPACN,N-dimethyl-1-(1,4-oxazepan-2-yl)methanamine
SMILESCN(C)CC1CNCCCO1
InChIInChI=1S/C8H18N2O/c1-10(2)7-8-6-9-4-3-5-11-8/h8-9H,3-7H2,1-2H3
InChIKeyDBJJZPNATHHJKH-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.07
Rot. Bonds2

About N,N-dimethyl-1-(1,4-oxazepan-2-yl)methanamine

N,N-dimethyl-1-(1,4-oxazepan-2-yl)methanamine (PubChem CID 15056611) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N,N-dimethyl-1-(1,4-oxazepan-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1,4-oxazepan-2-yl)methanamine
PubChem CID15056611
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN,N-dimethyl-1-(1,4-oxazepan-2-yl)methanamine
SMILESCN(C)CC1CNCCCO1
InChIInChI=1S/C8H18N2O/c1-10(2)7-8-6-9-4-3-5-11-8/h8-9H,3-7H2,1-2H3
InChIKeyDBJJZPNATHHJKH-UHFFFAOYSA-N
XLogP-0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methoxyethyl)-1,4-diazepane
CID 19019833
rac-(2R,7S)-2,7-dimethyl-1,4-oxazepane
CID 122164240
3-(2-Methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
(2S)-2-methyl-1,4-oxazepane
CID 28806954
2-Ethyl-1,4-oxazepane
CID 43498380
2-Methyl-1,4-oxazepane
CID 43498381
2-(Propan-2-yl)-1,4-oxazepane
CID 82594498
Dimethyl[2-(1,4-oxazepan-2-yl)ethyl]amine
CID 165590722
7-Methyl-1,4-oxazepane
CID 68056775
2,7-Dimethyl-1,4-oxazepane
CID 117046196
2-[4-(2-fluoroethyl)-1,4-oxazepan-7-yl]-N-methylethanamine
CID 167166849
2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine
CID 62966726

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1,4-oxazepan-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1,4-oxazepan-2-yl)methanamine (CID 15056611) is N,N-dimethyl-1-(1,4-oxazepan-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1,4-oxazepan-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1,4-oxazepan-2-yl)methanamine is CN(C)CC1CNCCCO1.
What is the InChIKey of N,N-dimethyl-1-(1,4-oxazepan-2-yl)methanamine?
The InChIKey is DBJJZPNATHHJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10(2)7-8-6-9-4-3-5-11-8/h8-9H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(1,4-oxazepan-2-yl)methanamine?
N,N-dimethyl-1-(1,4-oxazepan-2-yl)methanamine has a molecular weight of 158.25 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1,4-oxazepan-2-yl)methanamine is sourced from PubChem (CID 15056611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).