N-[(4,4-dimethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine

C16H25N3 — CID 81030736

IUPACN-[(4,4-dimethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine
SMILESCC1(C)CCC(CNC2CC2)C(c2cnccn2)C1
InChIInChI=1S/C16H25N3/c1-16(2)6-5-12(10-19-13-3-4-13)14(9-16)15-11-17-7-8-18-15/h7-8,11-14,19H,3-6,9-10H2,1-2H3
InChIKeyDAHKJWROAJLQEG-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.14
Rot. Bonds4

About N-[(4,4-dimethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine

N-[(4,4-dimethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine (PubChem CID 81030736) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[(4,4-dimethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4,4-dimethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine
PubChem CID81030736
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[(4,4-dimethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine
SMILESCC1(C)CCC(CNC2CC2)C(c2cnccn2)C1
InChIInChI=1S/C16H25N3/c1-16(2)6-5-12(10-19-13-3-4-13)14(9-16)15-11-17-7-8-18-15/h7-8,11-14,19H,3-6,9-10H2,1-2H3
InChIKeyDAHKJWROAJLQEG-UHFFFAOYSA-N
XLogP3.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030101
N-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine
CID 81030505
N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 114667577
N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine
CID 81022983
N-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine
CID 81028406
N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030735
N-methyl-1-(2-pyrazin-2-ylcycloheptyl)methanamine
CID 81026451
1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine
CID 81030852
N-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine
CID 81033718
N-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine
CID 81025607
N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030507
N-[(2-butyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030656

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4,4-dimethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine (CID 81030736) is N-[(4,4-dimethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4,4-dimethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4,4-dimethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine is CC1(C)CCC(CNC2CC2)C(c2cnccn2)C1.
What is the InChIKey of N-[(4,4-dimethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is DAHKJWROAJLQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-16(2)6-5-12(10-19-13-3-4-13)14(9-16)15-11-17-7-8-18-15/h7-8,11-14,19H,3-6,9-10H2,1-2H3.
What are the key properties of N-[(4,4-dimethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine?
N-[(4,4-dimethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 259.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-dimethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 81030736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).