N-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine

C16H25N3 — CID 65391135

IUPACN-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCCC1CCC(c2ncc(CNC3CC3)cn2)CC1
InChIInChI=1S/C16H25N3/c1-2-12-3-5-14(6-4-12)16-18-10-13(11-19-16)9-17-15-7-8-15/h10-12,14-15,17H,2-9H2,1H3
InChIKeyAMTHGTUQDIFITA-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.41
Rot. Bonds5

About N-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 65391135) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID65391135
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCCC1CCC(c2ncc(CNC3CC3)cn2)CC1
InChIInChI=1S/C16H25N3/c1-2-12-3-5-14(6-4-12)16-18-10-13(11-19-16)9-17-15-7-8-15/h10-12,14-15,17H,2-9H2,1H3
InChIKeyAMTHGTUQDIFITA-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclopropylpyrimidin-5-yl)methyl]cyclopropanamine
CID 62757323
4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
CID 62758802
1-(2-cyclopropylpyrimidin-5-yl)-N-methylmethanamine
CID 62756946
N-[[2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 65403495
4-ethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43078853
N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63456354
4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine
CID 62742743
4-ethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
CID 79496315
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 65403690
4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 103275539
N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082609
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine (CID 65391135) is N-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine is CCC1CCC(c2ncc(CNC3CC3)cn2)CC1.
What is the InChIKey of N-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is AMTHGTUQDIFITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-12-3-5-14(6-4-12)16-18-10-13(11-19-16)9-17-15-7-8-15/h10-12,14-15,17H,2-9H2,1H3.
What are the key properties of N-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 259.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65391135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).