1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine

C13H28N2 — CID 62071758

IUPAC1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine
SMILESCCCCCN(C)C(CN)C1CCCC1
InChIInChI=1S/C13H28N2/c1-3-4-7-10-15(2)13(11-14)12-8-5-6-9-12/h12-13H,3-11,14H2,1-2H3
InChIKeyZCNQODLXDKMUAW-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.63
Rot. Bonds7

About 1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine

1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine (PubChem CID 62071758) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine
PubChem CID62071758
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine
SMILESCCCCCN(C)C(CN)C1CCCC1
InChIInChI=1S/C13H28N2/c1-3-4-7-10-15(2)13(11-14)12-8-5-6-9-12/h12-13H,3-11,14H2,1-2H3
InChIKeyZCNQODLXDKMUAW-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine
CID 62070003
1-cyclopentyl-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 55034811
1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
CID 81058894
1-cyclopropyl-N-hept-6-enyl-N-methylethane-1,2-diamine
CID 107008079
4-[(2-amino-1-cyclopropylethyl)-methylamino]-N,N-diethylbutanamide
CID 116653004
N-(cyclohexylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61444896
N-(cycloheptylmethyl)-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651578
1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine
CID 116651397
1-cyclopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206854
2-N-dodecyl-2-N-methylpropane-1,2-diamine
CID 104556816
3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide
CID 116653118
1-cyclopentyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79303331

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine (CID 62071758) is 1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine is CCCCCN(C)C(CN)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine?
The InChIKey is ZCNQODLXDKMUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-4-7-10-15(2)13(11-14)12-8-5-6-9-12/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine?
1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine is sourced from PubChem (CID 62071758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).