1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine

C19H36N2 — CID 106653570

IUPAC1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
SMILESCCCNC(C1=CCCCCC1)C(C)(C)N1CCCCC1
InChIInChI=1S/C19H36N2/c1-4-14-20-18(17-12-8-5-6-9-13-17)19(2,3)21-15-10-7-11-16-21/h12,18,20H,4-11,13-16H2,1-3H3
InChIKeyMWNDLSMRQQBNIX-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.51
Rot. Bonds6

About 1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine

1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine (PubChem CID 106653570) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
PubChem CID106653570
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
SMILESCCCNC(C1=CCCCCC1)C(C)(C)N1CCCCC1
InChIInChI=1S/C19H36N2/c1-4-14-20-18(17-12-8-5-6-9-13-17)19(2,3)21-15-10-7-11-16-21/h12,18,20H,4-11,13-16H2,1-3H3
InChIKeyMWNDLSMRQQBNIX-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 106653578
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
CID 102647694
1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 55195514
1-(cyclohepten-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 106653614
1-(cyclohexen-1-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 106653615
2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 79051839
1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 106654559
2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 79052153
[1-(cycloocten-1-yl)-2-methyl-2-morpholin-4-ylpropyl]hydrazine
CID 106649165
2-methyl-N-propyl-1-pyrimidin-5-yl-2-pyrrolidin-1-ylpropan-1-amine
CID 79045060
N-[1-(cyclohepten-1-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 106653153
1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 106653620

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine?
The IUPAC name of 1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine (CID 106653570) is 1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine is CCCNC(C1=CCCCCC1)C(C)(C)N1CCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine?
The InChIKey is MWNDLSMRQQBNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-4-14-20-18(17-12-8-5-6-9-13-17)19(2,3)21-15-10-7-11-16-21/h12,18,20H,4-11,13-16H2,1-3H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine?
1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine is sourced from PubChem (CID 106653570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).