N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)azetidin-3-amine

C13H25FN2 — CID 174197139

IUPACN-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)azetidin-3-amine
SMILESC=C(CC(C)(C)C)NC1CN(CCCF)C1
InChIInChI=1S/C13H25FN2/c1-11(8-13(2,3)4)15-12-9-16(10-12)7-5-6-14/h12,15H,1,5-10H2,2-4H3
InChIKeyHGANZXWCKGIPHH-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.57
Rot. Bonds6

About N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)azetidin-3-amine

N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)azetidin-3-amine (PubChem CID 174197139) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)azetidin-3-amine.

Molecular Properties

Compound NameN-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)azetidin-3-amine
PubChem CID174197139
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC NameN-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)azetidin-3-amine
SMILESC=C(CC(C)(C)C)NC1CN(CCCF)C1
InChIInChI=1S/C13H25FN2/c1-11(8-13(2,3)4)15-12-9-16(10-12)7-5-6-14/h12,15H,1,5-10H2,2-4H3
InChIKeyHGANZXWCKGIPHH-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)azetidin-3-amine?
The IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)azetidin-3-amine (CID 174197139) is N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)azetidin-3-amine.
What is the SMILES notation for N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)azetidin-3-amine?
The canonical SMILES for N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)azetidin-3-amine is C=C(CC(C)(C)C)NC1CN(CCCF)C1.
What is the InChIKey of N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)azetidin-3-amine?
The InChIKey is HGANZXWCKGIPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-11(8-13(2,3)4)15-12-9-16(10-12)7-5-6-14/h12,15H,1,5-10H2,2-4H3.
What are the key properties of N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)azetidin-3-amine?
N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)azetidin-3-amine has a molecular weight of 228.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)azetidin-3-amine is sourced from PubChem (CID 174197139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).