1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine

C18H35N3 — CID 60669267

IUPAC1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine
SMILESCN1CCN(CCCNC2CC3CCC2(C)C3(C)C)CC1
InChIInChI=1S/C18H35N3/c1-17(2)15-6-7-18(17,3)16(14-15)19-8-5-9-21-12-10-20(4)11-13-21/h15-16,19H,5-14H2,1-4H3
InChIKeySONKUWDRADPWMI-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.43
Rot. Bonds5

About 1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 60669267) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID60669267
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine
SMILESCN1CCN(CCCNC2CC3CCC2(C)C3(C)C)CC1
InChIInChI=1S/C18H35N3/c1-17(2)15-6-7-18(17,3)16(14-15)19-8-5-9-21-12-10-20(4)11-13-21/h15-16,19H,5-14H2,1-4H3
InChIKeySONKUWDRADPWMI-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine (CID 60669267) is 1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine is CN1CCN(CCCNC2CC3CCC2(C)C3(C)C)CC1.
What is the InChIKey of 1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is SONKUWDRADPWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-17(2)15-6-7-18(17,3)16(14-15)19-8-5-9-21-12-10-20(4)11-13-21/h15-16,19H,5-14H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 293.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 60669267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).