4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine

C15H31N3 — CID 61430663

IUPAC4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine
SMILESCC(C)(C)N1CCN(CC2CCC(N)CC2)CC1
InChIInChI=1S/C15H31N3/c1-15(2,3)18-10-8-17(9-11-18)12-13-4-6-14(16)7-5-13/h13-14H,4-12,16H2,1-3H3
InChIKeyNDNFZFCIRRFSCT-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds2

About 4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine

4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 61430663) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine
PubChem CID61430663
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine
SMILESCC(C)(C)N1CCN(CC2CCC(N)CC2)CC1
InChIInChI=1S/C15H31N3/c1-15(2,3)18-10-8-17(9-11-18)12-13-4-6-14(16)7-5-13/h13-14H,4-12,16H2,1-3H3
InChIKeyNDNFZFCIRRFSCT-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine (CID 61430663) is 4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine is CC(C)(C)N1CCN(CC2CCC(N)CC2)CC1.
What is the InChIKey of 4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is NDNFZFCIRRFSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-15(2,3)18-10-8-17(9-11-18)12-13-4-6-14(16)7-5-13/h13-14H,4-12,16H2,1-3H3.
What are the key properties of 4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine?
4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 61430663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).