N',N'-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine

C13H22N4 — CID 16876757

IUPACN',N'-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCc1nc2c(c(NCCCN(C)C)n1)CCC2
InChIInChI=1S/C13H22N4/c1-10-15-12-7-4-6-11(12)13(16-10)14-8-5-9-17(2)3/h4-9H2,1-3H3,(H,14,15,16)
InChIKeyBPSJOEYANYVYIW-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.64
Rot. Bonds5

About N',N'-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine

N',N'-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine (PubChem CID 16876757) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
PubChem CID16876757
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN',N'-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCc1nc2c(c(NCCCN(C)C)n1)CCC2
InChIInChI=1S/C13H22N4/c1-10-15-12-7-4-6-11(12)13(16-10)14-8-5-9-17(2)3/h4-9H2,1-3H3,(H,14,15,16)
InChIKeyBPSJOEYANYVYIW-UHFFFAOYSA-N
XLogP1.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine (CID 16876757) is N',N'-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine is Cc1nc2c(c(NCCCN(C)C)n1)CCC2.
What is the InChIKey of N',N'-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is BPSJOEYANYVYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-15-12-7-4-6-11(12)13(16-10)14-8-5-9-17(2)3/h4-9H2,1-3H3,(H,14,15,16).
What are the key properties of N',N'-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 16876757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).