N,N-bis(3-methylbutyl)azetidin-3-amine

C13H28N2 — CID 102672532

IUPACN,N-bis(3-methylbutyl)azetidin-3-amine
SMILESCC(C)CCN(CCC(C)C)C1CNC1
InChIInChI=1S/C13H28N2/c1-11(2)5-7-15(8-6-12(3)4)13-9-14-10-13/h11-14H,5-10H2,1-4H3
InChIKeyXUNVLKBUHFNYQT-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds7

About N,N-bis(3-methylbutyl)azetidin-3-amine

N,N-bis(3-methylbutyl)azetidin-3-amine (PubChem CID 102672532) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N,N-bis(3-methylbutyl)azetidin-3-amine.

Molecular Properties

Compound NameN,N-bis(3-methylbutyl)azetidin-3-amine
PubChem CID102672532
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN,N-bis(3-methylbutyl)azetidin-3-amine
SMILESCC(C)CCN(CCC(C)C)C1CNC1
InChIInChI=1S/C13H28N2/c1-11(2)5-7-15(8-6-12(3)4)13-9-14-10-13/h11-14H,5-10H2,1-4H3
InChIKeyXUNVLKBUHFNYQT-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutyl)-N-propylazetidin-3-amine
CID 66182647
N-ethyl-N-(3-methylbutyl)azetidin-3-amine
CID 66182506
ethane;N-methyl-N-(3-methylbutyl)azetidin-3-amine
CID 163376293
N-methyl-N-(4-methylpentyl)azetidin-3-amine
CID 83158943
N-(2-methylbutyl)-N-propylazetidin-3-amine
CID 66183920
N-(3-methylbutyl)-N-(3-piperidin-3-ylpropyl)cyclopropanamine
CID 78975359
4-[bis(3-methylbutyl)amino]cyclohexan-1-one
CID 114011303
N,N-bis(2-methoxyethyl)azetidin-3-amine;dihydrochloride
CID 122163592
5-[cyclopropyl(3-methylbutyl)amino]pentan-2-one
CID 78974221
N-(3-methoxy-2-methylpropyl)-N-propylazetidin-3-amine
CID 116502188
1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine
CID 78977536
N-(2,2-dimethoxyethyl)-N-propylazetidin-3-amine
CID 81093197

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-methylbutyl)azetidin-3-amine?
The IUPAC name of N,N-bis(3-methylbutyl)azetidin-3-amine (CID 102672532) is N,N-bis(3-methylbutyl)azetidin-3-amine.
What is the SMILES notation for N,N-bis(3-methylbutyl)azetidin-3-amine?
The canonical SMILES for N,N-bis(3-methylbutyl)azetidin-3-amine is CC(C)CCN(CCC(C)C)C1CNC1.
What is the InChIKey of N,N-bis(3-methylbutyl)azetidin-3-amine?
The InChIKey is XUNVLKBUHFNYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)5-7-15(8-6-12(3)4)13-9-14-10-13/h11-14H,5-10H2,1-4H3.
What are the key properties of N,N-bis(3-methylbutyl)azetidin-3-amine?
N,N-bis(3-methylbutyl)azetidin-3-amine has a molecular weight of 212.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-methylbutyl)azetidin-3-amine is sourced from PubChem (CID 102672532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).