N,N-dimethyl-3-propan-2-yloxepan-2-amine

C11H23NO — CID 137487098

IUPACN,N-dimethyl-3-propan-2-yloxepan-2-amine
SMILESCC(C)C1CCCCOC1N(C)C
InChIInChI=1S/C11H23NO/c1-9(2)10-7-5-6-8-13-11(10)12(3)4/h9-11H,5-8H2,1-4H3
InChIKeyYYABKXOIBYOBCN-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.35
Rot. Bonds2

About N,N-dimethyl-3-propan-2-yloxepan-2-amine

N,N-dimethyl-3-propan-2-yloxepan-2-amine (PubChem CID 137487098) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N,N-dimethyl-3-propan-2-yloxepan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-propan-2-yloxepan-2-amine
PubChem CID137487098
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN,N-dimethyl-3-propan-2-yloxepan-2-amine
SMILESCC(C)C1CCCCOC1N(C)C
InChIInChI=1S/C11H23NO/c1-9(2)10-7-5-6-8-13-11(10)12(3)4/h9-11H,5-8H2,1-4H3
InChIKeyYYABKXOIBYOBCN-UHFFFAOYSA-N
XLogP2.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N,N-dimethyloxan-2-amine
CID 92983084
acetic acid;3-propan-2-yloxan-2-ol
CID 71379645
8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 176780580
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
(2S,3S)-3-propan-2-yloxolan-2-ol
CID 138639961
3-propan-2-yloxolan-2-ol
CID 130130760
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349
2-propan-2-ylcyclohexane-1-thiol
CID 44558420
(3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
CID 129384273
(3-propan-2-yloxan-2-yl) acetate
CID 91983932
N-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81297392
(2R)-2-(2-methylpropyl)oxane
CID 58653197

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-propan-2-yloxepan-2-amine?
The IUPAC name of N,N-dimethyl-3-propan-2-yloxepan-2-amine (CID 137487098) is N,N-dimethyl-3-propan-2-yloxepan-2-amine.
What is the SMILES notation for N,N-dimethyl-3-propan-2-yloxepan-2-amine?
The canonical SMILES for N,N-dimethyl-3-propan-2-yloxepan-2-amine is CC(C)C1CCCCOC1N(C)C.
What is the InChIKey of N,N-dimethyl-3-propan-2-yloxepan-2-amine?
The InChIKey is YYABKXOIBYOBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)10-7-5-6-8-13-11(10)12(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of N,N-dimethyl-3-propan-2-yloxepan-2-amine?
N,N-dimethyl-3-propan-2-yloxepan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-propan-2-yloxepan-2-amine is sourced from PubChem (CID 137487098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).