1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine

C22H48N4 — CID 159993656

IUPAC1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine
SMILESCC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)NC1CC1
InChIInChI=1S/C8H18N2.C8H17N.C6H13N/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-5(2)7-6-3-4-6/h8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;5-7H,3-4H2,1-2H3
InChIKeyOHGQWGARXMCOKH-UHFFFAOYSA-N
MW368.65 g/mol
LogP3.67
Rot. Bonds4

About 1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine

1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine (PubChem CID 159993656) has the molecular formula C22H48N4 and a molecular weight of 368.65 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine
PubChem CID159993656
Molecular FormulaC22H48N4
Molecular Weight368.65 g/mol
Exact Mass368.39
IUPAC Name1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine
SMILESCC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)NC1CC1
InChIInChI=1S/C8H18N2.C8H17N.C6H13N/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-5(2)7-6-3-4-6/h8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;5-7H,3-4H2,1-2H3
InChIKeyOHGQWGARXMCOKH-UHFFFAOYSA-N
XLogP3.67
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.65
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932
4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine
CID 67476033
ethane;1-methylazepane;1-propan-2-ylpiperidine
CID 170601993
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158438628
4-piperidin-1-yl-N-propan-2-ylcyclohexan-1-amine
CID 115906137
ethane;propan-2-ylcyclohexane;1-propan-2-ylpiperidine
CID 159094239
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
ethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine
CID 160904536
carbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium)
CID 163857850

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine?
The IUPAC name of 1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine (CID 159993656) is 1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine.
What is the SMILES notation for 1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine?
The canonical SMILES for 1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine is CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)NC1CC1.
What is the InChIKey of 1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine?
The InChIKey is OHGQWGARXMCOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C8H17N.C6H13N/c1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-5(2)7-6-3-4-6/h8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;5-7H,3-4H2,1-2H3.
What are the key properties of 1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine?
1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine has a molecular weight of 368.65 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine is sourced from PubChem (CID 159993656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).