N-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine

C17H34N2 — CID 63163241

IUPACN-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine
SMILESCCC1(CC)CCN(C(C)CCCNC2CC2)CC1
InChIInChI=1S/C17H34N2/c1-4-17(5-2)10-13-19(14-11-17)15(3)7-6-12-18-16-8-9-16/h15-16,18H,4-14H2,1-3H3
InChIKeyKMHUIKGUQNKEFL-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds8

About N-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine

N-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine (PubChem CID 63163241) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine
PubChem CID63163241
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine
SMILESCCC1(CC)CCN(C(C)CCCNC2CC2)CC1
InChIInChI=1S/C17H34N2/c1-4-17(5-2)10-13-19(14-11-17)15(3)7-6-12-18-16-8-9-16/h15-16,18H,4-14H2,1-3H3
InChIKeyKMHUIKGUQNKEFL-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine (CID 63163241) is N-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine is CCC1(CC)CCN(C(C)CCCNC2CC2)CC1.
What is the InChIKey of N-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine?
The InChIKey is KMHUIKGUQNKEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-17(5-2)10-13-19(14-11-17)15(3)7-6-12-18-16-8-9-16/h15-16,18H,4-14H2,1-3H3.
What are the key properties of N-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine?
N-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine has a molecular weight of 266.47 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine is sourced from PubChem (CID 63163241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).