N'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine

C18H38N4 — CID 143268114

IUPACN'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine
SMILESC1CCC(NCCCNCCNCCN2CCCCC2)CC1
InChIInChI=1S/C18H38N4/c1-3-8-18(9-4-1)21-11-7-10-19-12-13-20-14-17-22-15-5-2-6-16-22/h18-21H,1-17H2
InChIKeyVHFHAMCBGJRZQQ-UHFFFAOYSA-N
MW310.53 g/mol
LogP1.96
Rot. Bonds11

About N'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine

N'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine (PubChem CID 143268114) has the molecular formula C18H38N4 and a molecular weight of 310.53 g/mol. Its IUPAC name is N'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine
PubChem CID143268114
Molecular FormulaC18H38N4
Molecular Weight310.53 g/mol
Exact Mass310.31
IUPAC NameN'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine
SMILESC1CCC(NCCCNCCNCCN2CCCCC2)CC1
InChIInChI=1S/C18H38N4/c1-3-8-18(9-4-1)21-11-7-10-19-12-13-20-14-17-22-15-5-2-6-16-22/h18-21H,1-17H2
InChIKeyVHFHAMCBGJRZQQ-UHFFFAOYSA-N
XLogP1.96
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine (CID 143268114) is N'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine is C1CCC(NCCCNCCNCCN2CCCCC2)CC1.
What is the InChIKey of N'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine?
The InChIKey is VHFHAMCBGJRZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4/c1-3-8-18(9-4-1)21-11-7-10-19-12-13-20-14-17-22-15-5-2-6-16-22/h18-21H,1-17H2.
What are the key properties of N'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine?
N'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine has a molecular weight of 310.53 g/mol, XLogP of 1.96, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine is sourced from PubChem (CID 143268114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).