(3S)-2-[(4R)-2,4-dimethylpyrrolidin-1-yl]-N,4,4-trimethylpent-1-en-3-amine

C14H28N2 — CID 153380105

IUPAC(3S)-2-[(4R)-2,4-dimethylpyrrolidin-1-yl]-N,4,4-trimethylpent-1-en-3-amine
SMILESC=C([C@@H](NC)C(C)(C)C)N1C[C@H](C)CC1C
InChIInChI=1S/C14H28N2/c1-10-8-11(2)16(9-10)12(3)13(15-7)14(4,5)6/h10-11,13,15H,3,8-9H2,1-2,4-7H3/t10-,11?,13-/m1/s1
InChIKeyJUFYLJWXTXHIDT-IAUSTGCCSA-N
MW224.39 g/mol
LogP2.86
Rot. Bonds3

About (3S)-2-[(4R)-2,4-dimethylpyrrolidin-1-yl]-N,4,4-trimethylpent-1-en-3-amine

(3S)-2-[(4R)-2,4-dimethylpyrrolidin-1-yl]-N,4,4-trimethylpent-1-en-3-amine (PubChem CID 153380105) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (3S)-2-[(4R)-2,4-dimethylpyrrolidin-1-yl]-N,4,4-trimethylpent-1-en-3-amine.

Molecular Properties

Compound Name(3S)-2-[(4R)-2,4-dimethylpyrrolidin-1-yl]-N,4,4-trimethylpent-1-en-3-amine
PubChem CID153380105
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(3S)-2-[(4R)-2,4-dimethylpyrrolidin-1-yl]-N,4,4-trimethylpent-1-en-3-amine
SMILESC=C([C@@H](NC)C(C)(C)C)N1C[C@H](C)CC1C
InChIInChI=1S/C14H28N2/c1-10-8-11(2)16(9-10)12(3)13(15-7)14(4,5)6/h10-11,13,15H,3,8-9H2,1-2,4-7H3/t10-,11?,13-/m1/s1
InChIKeyJUFYLJWXTXHIDT-IAUSTGCCSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-[(4R)-2,4-dimethylpyrrolidin-1-yl]-N,4,4-trimethylpent-1-en-3-amine?
The IUPAC name of (3S)-2-[(4R)-2,4-dimethylpyrrolidin-1-yl]-N,4,4-trimethylpent-1-en-3-amine (CID 153380105) is (3S)-2-[(4R)-2,4-dimethylpyrrolidin-1-yl]-N,4,4-trimethylpent-1-en-3-amine.
What is the SMILES notation for (3S)-2-[(4R)-2,4-dimethylpyrrolidin-1-yl]-N,4,4-trimethylpent-1-en-3-amine?
The canonical SMILES for (3S)-2-[(4R)-2,4-dimethylpyrrolidin-1-yl]-N,4,4-trimethylpent-1-en-3-amine is C=C([C@@H](NC)C(C)(C)C)N1C[C@H](C)CC1C.
What is the InChIKey of (3S)-2-[(4R)-2,4-dimethylpyrrolidin-1-yl]-N,4,4-trimethylpent-1-en-3-amine?
The InChIKey is JUFYLJWXTXHIDT-IAUSTGCCSA-N. The full InChI is InChI=1S/C14H28N2/c1-10-8-11(2)16(9-10)12(3)13(15-7)14(4,5)6/h10-11,13,15H,3,8-9H2,1-2,4-7H3/t10-,11?,13-/m1/s1.
What are the key properties of (3S)-2-[(4R)-2,4-dimethylpyrrolidin-1-yl]-N,4,4-trimethylpent-1-en-3-amine?
(3S)-2-[(4R)-2,4-dimethylpyrrolidin-1-yl]-N,4,4-trimethylpent-1-en-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-[(4R)-2,4-dimethylpyrrolidin-1-yl]-N,4,4-trimethylpent-1-en-3-amine is sourced from PubChem (CID 153380105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).