(2R)-2,4-dimethyl-1-N-[1-[(2S,3S)-3-methylpyrrolidin-2-yl]ethenyl]hex-5-ene-1,5-diamine

C15H29N3 — CID 142986526

IUPAC(2R)-2,4-dimethyl-1-N-[1-[(2S,3S)-3-methylpyrrolidin-2-yl]ethenyl]hex-5-ene-1,5-diamine
SMILESC=C(N)C(C)C[C@@H](C)CNC(=C)[C@H]1NCC[C@@H]1C
InChIInChI=1S/C15H29N3/c1-10(8-12(3)13(4)16)9-18-14(5)15-11(2)6-7-17-15/h10-12,15,17-18H,4-9,16H2,1-3H3/t10-,11+,12?,15+/m1/s1
InChIKeyDDKLICAFZSSNNT-YTZLLXOQSA-N
MW251.42 g/mol
LogP2.22
Rot. Bonds7

About (2R)-2,4-dimethyl-1-N-[1-[(2S,3S)-3-methylpyrrolidin-2-yl]ethenyl]hex-5-ene-1,5-diamine

(2R)-2,4-dimethyl-1-N-[1-[(2S,3S)-3-methylpyrrolidin-2-yl]ethenyl]hex-5-ene-1,5-diamine (PubChem CID 142986526) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is (2R)-2,4-dimethyl-1-N-[1-[(2S,3S)-3-methylpyrrolidin-2-yl]ethenyl]hex-5-ene-1,5-diamine.

Molecular Properties

Compound Name(2R)-2,4-dimethyl-1-N-[1-[(2S,3S)-3-methylpyrrolidin-2-yl]ethenyl]hex-5-ene-1,5-diamine
PubChem CID142986526
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name(2R)-2,4-dimethyl-1-N-[1-[(2S,3S)-3-methylpyrrolidin-2-yl]ethenyl]hex-5-ene-1,5-diamine
SMILESC=C(N)C(C)C[C@@H](C)CNC(=C)[C@H]1NCC[C@@H]1C
InChIInChI=1S/C15H29N3/c1-10(8-12(3)13(4)16)9-18-14(5)15-11(2)6-7-17-15/h10-12,15,17-18H,4-9,16H2,1-3H3/t10-,11+,12?,15+/m1/s1
InChIKeyDDKLICAFZSSNNT-YTZLLXOQSA-N
XLogP2.22
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-4-fluoro-2-methyl-5-methylidenepyrrolidine
CID 139386567
2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine
CID 155442418
1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine
CID 162598593
CID 58052012
CID 58052012
N-(1-cyclopentylethenyl)propan-2-amine
CID 58450055
N,N-dimethyl-3-pyrrolidin-3-ylprop-1-en-2-amine
CID 58493123
4-Tert-butyl-2-methylidenepyrrolidine
CID 59151482
3-Tert-butyl-2-methylidenepyrrolidine
CID 59765883
2-Methylidene-4-(2-methylpropyl)pyrrolidine
CID 59927730
N,5-dimethyl-2-methylidene-1-propan-2-ylazepan-3-amine
CID 60074633
(4S)-2-methylidene-4-(2-methylpropyl)pyrrolidine
CID 66638941
N-methyl-1-(1-methylpyrrolidin-2-yl)ethenamine
CID 67966044

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dimethyl-1-N-[1-[(2S,3S)-3-methylpyrrolidin-2-yl]ethenyl]hex-5-ene-1,5-diamine?
The IUPAC name of (2R)-2,4-dimethyl-1-N-[1-[(2S,3S)-3-methylpyrrolidin-2-yl]ethenyl]hex-5-ene-1,5-diamine (CID 142986526) is (2R)-2,4-dimethyl-1-N-[1-[(2S,3S)-3-methylpyrrolidin-2-yl]ethenyl]hex-5-ene-1,5-diamine.
What is the SMILES notation for (2R)-2,4-dimethyl-1-N-[1-[(2S,3S)-3-methylpyrrolidin-2-yl]ethenyl]hex-5-ene-1,5-diamine?
The canonical SMILES for (2R)-2,4-dimethyl-1-N-[1-[(2S,3S)-3-methylpyrrolidin-2-yl]ethenyl]hex-5-ene-1,5-diamine is C=C(N)C(C)C[C@@H](C)CNC(=C)[C@H]1NCC[C@@H]1C.
What is the InChIKey of (2R)-2,4-dimethyl-1-N-[1-[(2S,3S)-3-methylpyrrolidin-2-yl]ethenyl]hex-5-ene-1,5-diamine?
The InChIKey is DDKLICAFZSSNNT-YTZLLXOQSA-N. The full InChI is InChI=1S/C15H29N3/c1-10(8-12(3)13(4)16)9-18-14(5)15-11(2)6-7-17-15/h10-12,15,17-18H,4-9,16H2,1-3H3/t10-,11+,12?,15+/m1/s1.
What are the key properties of (2R)-2,4-dimethyl-1-N-[1-[(2S,3S)-3-methylpyrrolidin-2-yl]ethenyl]hex-5-ene-1,5-diamine?
(2R)-2,4-dimethyl-1-N-[1-[(2S,3S)-3-methylpyrrolidin-2-yl]ethenyl]hex-5-ene-1,5-diamine has a molecular weight of 251.42 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dimethyl-1-N-[1-[(2S,3S)-3-methylpyrrolidin-2-yl]ethenyl]hex-5-ene-1,5-diamine is sourced from PubChem (CID 142986526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).