N-[(1-tert-butylpiperidin-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C14H28N4 — CID 59096672

IUPACN-[(1-tert-butylpiperidin-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC(C)(C)N1CCC(CNC2=NCCCN2)CC1
InChIInChI=1S/C14H28N4/c1-14(2,3)18-9-5-12(6-10-18)11-17-13-15-7-4-8-16-13/h12H,4-11H2,1-3H3,(H2,15,16,17)
InChIKeyKPBSKCWURDPJBA-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.44
Rot. Bonds2

About N-[(1-tert-butylpiperidin-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[(1-tert-butylpiperidin-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 59096672) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-[(1-tert-butylpiperidin-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-tert-butylpiperidin-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID59096672
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-[(1-tert-butylpiperidin-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC(C)(C)N1CCC(CNC2=NCCCN2)CC1
InChIInChI=1S/C14H28N4/c1-14(2,3)18-9-5-12(6-10-18)11-17-13-15-7-4-8-16-13/h12H,4-11H2,1-3H3,(H2,15,16,17)
InChIKeyKPBSKCWURDPJBA-UHFFFAOYSA-N
XLogP1.44
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-2-[2-(1-methylpiperidin-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109471717
2-Methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472311
2-Methyl-1-[(1-propylpiperidin-4-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472607
1-Ethyl-2-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472637
2-Methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472917
1-Ethyl-2-[(1-methylpiperidin-4-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109473867
2-Methyl-1-[4-(4-methylpiperidin-1-yl)butyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109474339
1-Ethyl-2-[(1-propylpiperidin-4-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109474591
1-[2-(1-Ethylpiperidin-4-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109474617
N-ethyl-4-methyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide;hydroiodide
CID 111211034
N-ethyl-4-methyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide
CID 111211035
N',4-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-1-carboximidamide;hydroiodide
CID 111211324

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpiperidin-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[(1-tert-butylpiperidin-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 59096672) is N-[(1-tert-butylpiperidin-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[(1-tert-butylpiperidin-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[(1-tert-butylpiperidin-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is CC(C)(C)N1CCC(CNC2=NCCCN2)CC1.
What is the InChIKey of N-[(1-tert-butylpiperidin-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is KPBSKCWURDPJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-14(2,3)18-9-5-12(6-10-18)11-17-13-15-7-4-8-16-13/h12H,4-11H2,1-3H3,(H2,15,16,17).
What are the key properties of N-[(1-tert-butylpiperidin-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[(1-tert-butylpiperidin-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 252.41 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpiperidin-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 59096672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).