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

C14H27FN2 — CID 174197145

IUPAC(3S)-N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)pyrrolidin-3-amine
SMILESC=C(CC(C)(C)C)N[C@H]1CCN(CCCF)C1
InChIInChI=1S/C14H27FN2/c1-12(10-14(2,3)4)16-13-6-9-17(11-13)8-5-7-15/h13,16H,1,5-11H2,2-4H3/t13-/m0/s1
InChIKeyXIYQPMZWVYPKDJ-ZDUSSCGKSA-N
MW242.38 g/mol
LogP2.96
Rot. Bonds6

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

(3S)-N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)pyrrolidin-3-amine (PubChem CID 174197145) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is (3S)-N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)pyrrolidin-3-amine
PubChem CID174197145
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name(3S)-N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)pyrrolidin-3-amine
SMILESC=C(CC(C)(C)C)N[C@H]1CCN(CCCF)C1
InChIInChI=1S/C14H27FN2/c1-12(10-14(2,3)4)16-13-6-9-17(11-13)8-5-7-15/h13,16H,1,5-11H2,2-4H3/t13-/m0/s1
InChIKeyXIYQPMZWVYPKDJ-ZDUSSCGKSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)pyrrolidin-3-amine (CID 174197145) is (3S)-N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)pyrrolidin-3-amine is C=C(CC(C)(C)C)N[C@H]1CCN(CCCF)C1.
What is the InChIKey of (3S)-N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)pyrrolidin-3-amine?
The InChIKey is XIYQPMZWVYPKDJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27FN2/c1-12(10-14(2,3)4)16-13-6-9-17(11-13)8-5-7-15/h13,16H,1,5-11H2,2-4H3/t13-/m0/s1.
What are the key properties of (3S)-N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)pyrrolidin-3-amine?
(3S)-N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)pyrrolidin-3-amine has a molecular weight of 242.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)pyrrolidin-3-amine is sourced from PubChem (CID 174197145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).