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'}

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

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

Launch Full Analysis

Related Compounds

(4S,5S)-4-[(2S)-2-fluoro-6-methylhept-6-enyl]-2,5-dimethyl-1,3-diazinane
CID 173982963
3-Methylidene-2-propan-2-ylpiperidine
CID 10997110
1-(2,2,5-Trimethyl-4-methylidenehexan-3-yl)-1,3-diazinane
CID 69616752
N,6-dimethyl-3-methylidenepiperidin-2-amine
CID 90837651
4,6-Dimethyl-3-methylidenepiperidin-2-amine
CID 91275554
5-Methylidene-4-propan-2-yl-1,3-diazinane
CID 123147188
N,3-dimethyl-5-methylidenepiperidin-2-amine
CID 123220720
1-Methyl-4-(5-methylidene-6-propan-2-ylpiperidin-2-yl)piperazine
CID 123597347
3-Methyl-6-(5-methylidene-6-propan-2-ylpiperidin-2-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 123986607
1-N-(2-aminopropan-2-yl)-6-methyl-5-methylideneheptane-1,4-diamine
CID 130439955
1-N-(aminomethyl)-6-methyl-5-methylideneheptane-1,4-diamine
CID 130439995
N-methyl-N-(2-methylpropyl)-6-prop-1-en-2-ylpiperidin-3-amine
CID 134394521

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).