N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine

C11H23NO — CID 169307437

IUPACN-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
SMILESCCCN(C)CC1CCCCCO1
InChIInChI=1S/C11H23NO/c1-3-8-12(2)10-11-7-5-4-6-9-13-11/h11H,3-10H2,1-2H3
InChIKeyNSVUVLQNBKFJEY-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.29
Rot. Bonds4

About N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine

N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine (PubChem CID 169307437) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
PubChem CID169307437
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
SMILESCCCN(C)CC1CCCCCO1
InChIInChI=1S/C11H23NO/c1-3-8-12(2)10-11-7-5-4-6-9-13-11/h11H,3-10H2,1-2H3
InChIKeyNSVUVLQNBKFJEY-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
3-[methyl(oxan-2-ylmethyl)amino]propanenitrile
CID 43403608
6-[methyl(oxan-2-ylmethyl)amino]hexan-1-ol
CID 103737833
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349
N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
CID 104856033
N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 61436273
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 63068837
N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine
CID 169307485
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine?
The IUPAC name of N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine (CID 169307437) is N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine is CCCN(C)CC1CCCCCO1.
What is the InChIKey of N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine?
The InChIKey is NSVUVLQNBKFJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-8-12(2)10-11-7-5-4-6-9-13-11/h11H,3-10H2,1-2H3.
What are the key properties of N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine?
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 169307437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).