N,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine

C11H23NO — CID 160855630

IUPACN,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine
SMILESCN(C)CCCCCCCC1CO1
InChIInChI=1S/C11H23NO/c1-12(2)9-7-5-3-4-6-8-11-10-13-11/h11H,3-10H2,1-2H3
InChIKeyQGRQNSQYVOPAER-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.29
Rot. Bonds8

About N,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine

N,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine (PubChem CID 160855630) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine
PubChem CID160855630
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine
SMILESCN(C)CCCCCCCC1CO1
InChIInChI=1S/C11H23NO/c1-12(2)9-7-5-3-4-6-8-11-10-13-11/h11H,3-10H2,1-2H3
InChIKeyQGRQNSQYVOPAER-UHFFFAOYSA-N
XLogP2.29
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
azane;N,N-dimethyl-2-(oxiran-2-yl)ethanamine;hydrochloride
CID 174892237
2-tetratetracontyloxirane
CID 102093754
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
N,N-dimethyldodecan-1-amine;oxiran-2-ylmethanol;hydrochloride
CID 174594174
acetaldehyde;2-[9-(oxiran-2-yl)nonyl]oxirane
CID 91305808
(2R)-2-pentyloxirane
CID 11147691

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine?
The IUPAC name of N,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine (CID 160855630) is N,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine.
What is the SMILES notation for N,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine?
The canonical SMILES for N,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine is CN(C)CCCCCCCC1CO1.
What is the InChIKey of N,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine?
The InChIKey is QGRQNSQYVOPAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-12(2)9-7-5-3-4-6-8-11-10-13-11/h11H,3-10H2,1-2H3.
What are the key properties of N,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine?
N,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine is sourced from PubChem (CID 160855630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).