N',N'-diethyl-N-(5-methylidene-6-propan-2-ylpiperidin-2-yl)ethane-1,2-diamine

C15H31N3 — CID 123761400

IUPACN',N'-diethyl-N-(5-methylidene-6-propan-2-ylpiperidin-2-yl)ethane-1,2-diamine
SMILESC=C1CCC(NCCN(CC)CC)NC1C(C)C
InChIInChI=1S/C15H31N3/c1-6-18(7-2)11-10-16-14-9-8-13(5)15(17-14)12(3)4/h12,14-17H,5-11H2,1-4H3
InChIKeyDFJUUPLZBXELIV-UHFFFAOYSA-N
MW253.43 g/mol
LogP2.21
Rot. Bonds7

About N',N'-diethyl-N-(5-methylidene-6-propan-2-ylpiperidin-2-yl)ethane-1,2-diamine

N',N'-diethyl-N-(5-methylidene-6-propan-2-ylpiperidin-2-yl)ethane-1,2-diamine (PubChem CID 123761400) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N',N'-diethyl-N-(5-methylidene-6-propan-2-ylpiperidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(5-methylidene-6-propan-2-ylpiperidin-2-yl)ethane-1,2-diamine
PubChem CID123761400
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN',N'-diethyl-N-(5-methylidene-6-propan-2-ylpiperidin-2-yl)ethane-1,2-diamine
SMILESC=C1CCC(NCCN(CC)CC)NC1C(C)C
InChIInChI=1S/C15H31N3/c1-6-18(7-2)11-10-16-14-9-8-13(5)15(17-14)12(3)4/h12,14-17H,5-11H2,1-4H3
InChIKeyDFJUUPLZBXELIV-UHFFFAOYSA-N
XLogP2.21
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(5-methylidene-6-propan-2-ylpiperidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(5-methylidene-6-propan-2-ylpiperidin-2-yl)ethane-1,2-diamine (CID 123761400) is N',N'-diethyl-N-(5-methylidene-6-propan-2-ylpiperidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(5-methylidene-6-propan-2-ylpiperidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(5-methylidene-6-propan-2-ylpiperidin-2-yl)ethane-1,2-diamine is C=C1CCC(NCCN(CC)CC)NC1C(C)C.
What is the InChIKey of N',N'-diethyl-N-(5-methylidene-6-propan-2-ylpiperidin-2-yl)ethane-1,2-diamine?
The InChIKey is DFJUUPLZBXELIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-6-18(7-2)11-10-16-14-9-8-13(5)15(17-14)12(3)4/h12,14-17H,5-11H2,1-4H3.
What are the key properties of N',N'-diethyl-N-(5-methylidene-6-propan-2-ylpiperidin-2-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(5-methylidene-6-propan-2-ylpiperidin-2-yl)ethane-1,2-diamine has a molecular weight of 253.43 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(5-methylidene-6-propan-2-ylpiperidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 123761400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).