4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine

C18H37N3 — CID 65094562

IUPAC4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine
SMILESCN(CCN1CCNCC1)C1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37N3/c1-18(2,3)16-6-5-7-17(9-8-16)20(4)14-15-21-12-10-19-11-13-21/h16-17,19H,5-15H2,1-4H3
InChIKeyMNPFCKZTOXGGHT-UHFFFAOYSA-N
MW295.52 g/mol
LogP2.82
Rot. Bonds4

About 4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine

4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine (PubChem CID 65094562) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine
PubChem CID65094562
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC Name4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine
SMILESCN(CCN1CCNCC1)C1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37N3/c1-18(2,3)16-6-5-7-17(9-8-16)20(4)14-15-21-12-10-19-11-13-21/h16-17,19H,5-15H2,1-4H3
InChIKeyMNPFCKZTOXGGHT-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757824
1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine
CID 65077785
N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine
CID 117029722
N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine
CID 115240363
N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 62860620
N-[2-(1,4-diazepan-1-yl)ethyl]-N-methylthiolan-3-amine
CID 62832766
1-(2-cyclobutyl-2-methylpropyl)piperazine
CID 116829836
N-cyclobutyl-N-methyl-3-piperazin-1-ylpropanamide
CID 115171758
1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine
CID 79677755
N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine
CID 115229945
N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine
CID 80551419
1-(azetidin-3-ylmethyl)-4-piperidin-4-ylpiperazine;N,4-dimethyl-N-(2-piperazin-1-ylethyl)cyclohexan-1-amine
CID 162742082

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine (CID 65094562) is 4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine is CN(CCN1CCNCC1)C1CCCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine?
The InChIKey is MNPFCKZTOXGGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-18(2,3)16-6-5-7-17(9-8-16)20(4)14-15-21-12-10-19-11-13-21/h16-17,19H,5-15H2,1-4H3.
What are the key properties of 4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine?
4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine has a molecular weight of 295.52 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine is sourced from PubChem (CID 65094562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).