N-ethyl-N-(3-methylbutyl)azetidin-3-amine

C10H22N2 — CID 66182506

IUPACN-ethyl-N-(3-methylbutyl)azetidin-3-amine
SMILESCCN(CCC(C)C)C1CNC1
InChIInChI=1S/C10H22N2/c1-4-12(6-5-9(2)3)10-7-11-8-10/h9-11H,4-8H2,1-3H3
InChIKeyKHXOBFINANQKRL-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.33
Rot. Bonds5

About N-ethyl-N-(3-methylbutyl)azetidin-3-amine

N-ethyl-N-(3-methylbutyl)azetidin-3-amine (PubChem CID 66182506) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-ethyl-N-(3-methylbutyl)azetidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(3-methylbutyl)azetidin-3-amine
PubChem CID66182506
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-ethyl-N-(3-methylbutyl)azetidin-3-amine
SMILESCCN(CCC(C)C)C1CNC1
InChIInChI=1S/C10H22N2/c1-4-12(6-5-9(2)3)10-7-11-8-10/h9-11H,4-8H2,1-3H3
InChIKeyKHXOBFINANQKRL-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(3-methylbutyl)azetidin-3-amine
CID 102672532
N-(3-methylbutyl)-N-propylazetidin-3-amine
CID 66182647
ethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine
CID 163376293
N-(2-cyclopropylethyl)-N-ethylazetidin-3-amine
CID 66181540
N-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine
CID 115514933
N-(2-methylbutyl)-N-propylazetidin-3-amine
CID 66183920
N-ethyl-N-pent-3-ynylazetidin-3-amine
CID 104809046
N-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine
CID 66182079
N-methyl-N-(4-methylpentyl)azetidin-3-amine
CID 83158943
N-(2-butoxyethyl)-N-ethylazetidin-3-amine
CID 66182391
N-ethyl-N-(2-phenylethyl)azetidin-3-amine
CID 66182276
N-ethyl-N-propan-2-ylazetidin-3-amine
CID 21024113

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylbutyl)azetidin-3-amine?
The IUPAC name of N-ethyl-N-(3-methylbutyl)azetidin-3-amine (CID 66182506) is N-ethyl-N-(3-methylbutyl)azetidin-3-amine.
What is the SMILES notation for N-ethyl-N-(3-methylbutyl)azetidin-3-amine?
The canonical SMILES for N-ethyl-N-(3-methylbutyl)azetidin-3-amine is CCN(CCC(C)C)C1CNC1.
What is the InChIKey of N-ethyl-N-(3-methylbutyl)azetidin-3-amine?
The InChIKey is KHXOBFINANQKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-12(6-5-9(2)3)10-7-11-8-10/h9-11H,4-8H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylbutyl)azetidin-3-amine?
N-ethyl-N-(3-methylbutyl)azetidin-3-amine has a molecular weight of 170.30 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylbutyl)azetidin-3-amine is sourced from PubChem (CID 66182506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).