1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine

C14H24N4 — CID 79074760

IUPAC1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(N)c2cncnc2)(N(C)C)C1
InChIInChI=1S/C14H24N4/c1-11-5-4-6-14(7-11,18(2)3)13(15)12-8-16-10-17-9-12/h8-11,13H,4-7,15H2,1-3H3
InChIKeyMEIDCOXYYLONOX-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.99
Rot. Bonds3

About 1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 79074760) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID79074760
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(N)c2cncnc2)(N(C)C)C1
InChIInChI=1S/C14H24N4/c1-11-5-4-6-14(7-11,18(2)3)13(15)12-8-16-10-17-9-12/h8-11,13H,4-7,15H2,1-3H3
InChIKeyMEIDCOXYYLONOX-UHFFFAOYSA-N
XLogP1.99
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066212
1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074764
1-[amino-(4-ethylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79075065
1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074317
1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074325
1-[amino(2,3-dihydrofuran-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 102651862
1-[amino(cyclopentyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074613
1-[amino-(4-fluoro-2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074616
1-[amino-(4-bromothiophen-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79602152
1-[hydrazinyl-(5-methoxy-3-pyridinyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243737
1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074466
1-[amino-(3-chlorothiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 107359933

Frequently Asked Questions

What is the IUPAC name of 1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 79074760) is 1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine is CC1CCCC(C(N)c2cncnc2)(N(C)C)C1.
What is the InChIKey of 1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is MEIDCOXYYLONOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11-5-4-6-14(7-11,18(2)3)13(15)12-8-16-10-17-9-12/h8-11,13H,4-7,15H2,1-3H3.
What are the key properties of 1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(pyrimidin-5-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79074760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).