3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine

C16H34N2 — CID 113489996

IUPAC3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCCCCCN(C(C)C)C(C)(CN)CC1CCC1
InChIInChI=1S/C16H34N2/c1-5-6-7-11-18(14(2)3)16(4,13-17)12-15-9-8-10-15/h14-15H,5-13,17H2,1-4H3
InChIKeyFCZQVHLODLQKDX-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.79
Rot. Bonds9

About 3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine

3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine (PubChem CID 113489996) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
PubChem CID113489996
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCCCCCN(C(C)C)C(C)(CN)CC1CCC1
InChIInChI=1S/C16H34N2/c1-5-6-7-11-18(14(2)3)16(4,13-17)12-15-9-8-10-15/h14-15H,5-13,17H2,1-4H3
InChIKeyFCZQVHLODLQKDX-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.79
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-tert-butyl-N-propan-2-ylpentan-1-amine
CID 166958417
2-(oxolan-3-yl)-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 113483736
2-N-ethyl-2-methyl-2-N-propan-2-ylheptane-1,2-diamine
CID 80558248
3-cyclobutyl-2-N-(2-methoxyethyl)-2-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 113489993
2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine
CID 107397828
2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)heptane-1,2-diamine
CID 80558361
N-(1-amino-2-methylbutan-2-yl)-1-cyclohexyl-N-propylmethanesulfonamide
CID 62008250
2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
CID 78944020
2-N-cyclopropyl-2-methyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63465034
2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
CID 43294696
2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine
CID 43613910
2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 61352566

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine (CID 113489996) is 3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine is CCCCCN(C(C)C)C(C)(CN)CC1CCC1.
What is the InChIKey of 3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is FCZQVHLODLQKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-6-7-11-18(14(2)3)16(4,13-17)12-15-9-8-10-15/h14-15H,5-13,17H2,1-4H3.
What are the key properties of 3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine?
3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 113489996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).