N-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine

C18H36N2 — CID 81004984

IUPACN-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine
SMILESCCCNCC1CCC1N(CCC(C)C)C1CCCC1
InChIInChI=1S/C18H36N2/c1-4-12-19-14-16-9-10-18(16)20(13-11-15(2)3)17-7-5-6-8-17/h15-19H,4-14H2,1-3H3
InChIKeyVLENCFUABPHTLU-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds9

About N-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine

N-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine (PubChem CID 81004984) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine
PubChem CID81004984
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine
SMILESCCCNCC1CCC1N(CCC(C)C)C1CCCC1
InChIInChI=1S/C18H36N2/c1-4-12-19-14-16-9-10-18(16)20(13-11-15(2)3)17-7-5-6-8-17/h15-19H,4-14H2,1-3H3
InChIKeyVLENCFUABPHTLU-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine?
The IUPAC name of N-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine (CID 81004984) is N-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine.
What is the SMILES notation for N-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine?
The canonical SMILES for N-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine is CCCNCC1CCC1N(CCC(C)C)C1CCCC1.
What is the InChIKey of N-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine?
The InChIKey is VLENCFUABPHTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-12-19-14-16-9-10-18(16)20(13-11-15(2)3)17-7-5-6-8-17/h15-19H,4-14H2,1-3H3.
What are the key properties of N-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine?
N-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine is sourced from PubChem (CID 81004984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).