N',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine

C18H37N3 — CID 79537332

IUPACN',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine
SMILESCCN(CC)CCCNC1CCCCC1C1CCCCN1
InChIInChI=1S/C18H37N3/c1-3-21(4-2)15-9-14-20-17-11-6-5-10-16(17)18-12-7-8-13-19-18/h16-20H,3-15H2,1-2H3
InChIKeySADVGXMSNWHSBO-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.01
Rot. Bonds8

About N',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine

N',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine (PubChem CID 79537332) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is N',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine
PubChem CID79537332
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC NameN',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine
SMILESCCN(CC)CCCNC1CCCCC1C1CCCCN1
InChIInChI=1S/C18H37N3/c1-3-21(4-2)15-9-14-20-17-11-6-5-10-16(17)18-12-7-8-13-19-18/h16-20H,3-15H2,1-2H3
InChIKeySADVGXMSNWHSBO-UHFFFAOYSA-N
XLogP3.01
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-2-piperidin-2-ylcyclopentan-1-amine
CID 79545809
3-[(2-piperidin-2-ylcyclopentyl)amino]propan-1-ol
CID 79544914
N-ethyl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553478
N'-methyl-N-(2-piperidin-2-ylcyclohexyl)-N'-propan-2-ylethane-1,2-diamine
CID 79553044
N-(3-methylsulfanylpropyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79549363
N-[3-(2-methoxyethoxy)propyl]-2-piperidin-2-ylcyclohexan-1-amine
CID 79541663
2-piperidin-2-yl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 79552730
2-piperidin-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine
CID 106007566
N-[3-[(2-piperidin-2-ylcyclopentyl)amino]propyl]methanesulfonamide
CID 106332903
ethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate
CID 79541683
5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pentan-2-ol
CID 106122125
N'-(2-pyrrolidin-2-ylcyclopentyl)butane-1,4-diamine
CID 79543435

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine (CID 79537332) is N',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine is CCN(CC)CCCNC1CCCCC1C1CCCCN1.
What is the InChIKey of N',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine?
The InChIKey is SADVGXMSNWHSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-3-21(4-2)15-9-14-20-17-11-6-5-10-16(17)18-12-7-8-13-19-18/h16-20H,3-15H2,1-2H3.
What are the key properties of N',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine?
N',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine has a molecular weight of 295.51 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 79537332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).