N-[(1-methylcyclopentyl)methyl]-N'-propan-2-ylpropane-1,3-diamine

C13H28N2 — CID 63831248

IUPACN-[(1-methylcyclopentyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)NCCCNCC1(C)CCCC1
InChIInChI=1S/C13H28N2/c1-12(2)15-10-6-9-14-11-13(3)7-4-5-8-13/h12,14-15H,4-11H2,1-3H3
InChIKeyKGOZFMOIEINSCE-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.54
Rot. Bonds7

About N-[(1-methylcyclopentyl)methyl]-N'-propan-2-ylpropane-1,3-diamine

N-[(1-methylcyclopentyl)methyl]-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 63831248) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
PubChem CID63831248
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[(1-methylcyclopentyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)NCCCNCC1(C)CCCC1
InChIInChI=1S/C13H28N2/c1-12(2)15-10-6-9-14-11-13(3)7-4-5-8-13/h12,14-15H,4-11H2,1-3H3
InChIKeyKGOZFMOIEINSCE-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(1-methylcyclopentyl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-N'-propan-2-ylpropane-1,3-diamine (CID 63831248) is N-[(1-methylcyclopentyl)methyl]-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-N'-propan-2-ylpropane-1,3-diamine is CC(C)NCCCNCC1(C)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is KGOZFMOIEINSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-12(2)15-10-6-9-14-11-13(3)7-4-5-8-13/h12,14-15H,4-11H2,1-3H3.
What are the key properties of N-[(1-methylcyclopentyl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
N-[(1-methylcyclopentyl)methyl]-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 63831248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).