N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine

C9H19NO — CID 88561172

IUPACN-ethyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine
SMILESCCN(CC1CO1)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-5-10(9(2,3)4)6-8-7-11-8/h8H,5-7H2,1-4H3
InChIKeyMQAOSGXOABWQIE-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds3

About N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine

N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine (PubChem CID 88561172) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine
PubChem CID88561172
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-ethyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine
SMILESCCN(CC1CO1)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-5-10(9(2,3)4)6-8-7-11-8/h8H,5-7H2,1-4H3
InChIKeyMQAOSGXOABWQIE-UHFFFAOYSA-N
XLogP1.51
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-(oxiran-2-yl)methanamine
CID 161234843
(2R)-2-(2,2-dimethylpropyl)oxirane
CID 15053925
N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine
CID 43264170
N,N,N'-triethyl-N'-(oxiran-2-ylmethyl)propane-1,3-diamine
CID 102992625
N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine
CID 130392651
N-iodo-N-methyl-1-(oxiran-2-yl)methanamine
CID 118696490
1-ethyl-1-(oxiran-2-ylmethyl)urea
CID 141285145
1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea
CID 21422545
N,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine
CID 141216576
N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride
CID 159534720
N-(ethoxymethyl)-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine
CID 134590552
2-[bis(oxiran-2-ylmethyl)amino]-3-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propanamide
CID 88734452

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine?
The IUPAC name of N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine (CID 88561172) is N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine is CCN(CC1CO1)C(C)(C)C.
What is the InChIKey of N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine?
The InChIKey is MQAOSGXOABWQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-10(9(2,3)4)6-8-7-11-8/h8H,5-7H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine?
N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 88561172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).