(2S)-3-[2-[(2S)-2,3-bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine

C19H40N4 — CID 92573509

IUPAC(2S)-3-[2-[(2S)-2,3-bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine
SMILESCN(C)C[C@H](CC1=C(C[C@@H](CN(C)C)N(C)C)CCC1)N(C)C
InChIInChI=1S/C19H40N4/c1-20(2)14-18(22(5)6)12-16-10-9-11-17(16)13-19(23(7)8)15-21(3)4/h18-19H,9-15H2,1-8H3/t18-,19-/m0/s1
InChIKeyLAAYVNAGMUFKIX-OALUTQOASA-N
MW324.56 g/mol
LogP2.23
Rot. Bonds10

About (2S)-3-[2-[(2S)-2,3-bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine

(2S)-3-[2-[(2S)-2,3-bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine (PubChem CID 92573509) has the molecular formula C19H40N4 and a molecular weight of 324.56 g/mol. Its IUPAC name is (2S)-3-[2-[(2S)-2,3-bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-3-[2-[(2S)-2,3-bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine
PubChem CID92573509
Molecular FormulaC19H40N4
Molecular Weight324.56 g/mol
Exact Mass324.33
IUPAC Name(2S)-3-[2-[(2S)-2,3-bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine
SMILESCN(C)C[C@H](CC1=C(C[C@@H](CN(C)C)N(C)C)CCC1)N(C)C
InChIInChI=1S/C19H40N4/c1-20(2)14-18(22(5)6)12-16-10-9-11-17(16)13-19(23(7)8)15-21(3)4/h18-19H,9-15H2,1-8H3/t18-,19-/m0/s1
InChIKeyLAAYVNAGMUFKIX-OALUTQOASA-N
XLogP2.23
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-3-[2-[(2S)-2,3-bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[2-[(2S)-2,3-bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine?
The IUPAC name of (2S)-3-[2-[(2S)-2,3-bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine (CID 92573509) is (2S)-3-[2-[(2S)-2,3-bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine.
What is the SMILES notation for (2S)-3-[2-[(2S)-2,3-bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine?
The canonical SMILES for (2S)-3-[2-[(2S)-2,3-bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine is CN(C)C[C@H](CC1=C(C[C@@H](CN(C)C)N(C)C)CCC1)N(C)C.
What is the InChIKey of (2S)-3-[2-[(2S)-2,3-bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine?
The InChIKey is LAAYVNAGMUFKIX-OALUTQOASA-N. The full InChI is InChI=1S/C19H40N4/c1-20(2)14-18(22(5)6)12-16-10-9-11-17(16)13-19(23(7)8)15-21(3)4/h18-19H,9-15H2,1-8H3/t18-,19-/m0/s1.
What are the key properties of (2S)-3-[2-[(2S)-2,3-bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine?
(2S)-3-[2-[(2S)-2,3-bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine has a molecular weight of 324.56 g/mol, XLogP of 2.23, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[2-[(2S)-2,3-bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine is sourced from PubChem (CID 92573509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).