N'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine

C16H28N4O — CID 66317669

IUPACN'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine
SMILESCCOc1cc(N(CCCN)C2CCCCCC2)ncn1
InChIInChI=1S/C16H28N4O/c1-2-21-16-12-15(18-13-19-16)20(11-7-10-17)14-8-5-3-4-6-9-14/h12-14H,2-11,17H2,1H3
InChIKeyPHNCJINVJGZFJR-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.75
Rot. Bonds7

About N'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine

N'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine (PubChem CID 66317669) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine
PubChem CID66317669
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine
SMILESCCOc1cc(N(CCCN)C2CCCCCC2)ncn1
InChIInChI=1S/C16H28N4O/c1-2-21-16-12-15(18-13-19-16)20(11-7-10-17)14-8-5-3-4-6-9-14/h12-14H,2-11,17H2,1H3
InChIKeyPHNCJINVJGZFJR-UHFFFAOYSA-N
XLogP2.75
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-cyclopentyl-N'-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine
CID 66332218
N'-cyclobutyl-N'-(6-ethoxy-2-methylpyrimidin-4-yl)propane-1,3-diamine
CID 102874546
N'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240927
N-(6-ethoxypyrimidin-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66319026
N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine
CID 54939100
N'-cyclopropyl-N'-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66333463
N'-cyclopropyl-N'-(4-ethoxy-6-methylpyrimidin-2-yl)propane-1,3-diamine
CID 112634666
6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 66319466
N'-cyclohexyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270703
N-(2-bromocyclohexyl)-6-ethoxy-N-methylpyrimidin-4-amine
CID 102637637
4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79111824
N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 102874472

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine (CID 66317669) is N'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine is CCOc1cc(N(CCCN)C2CCCCCC2)ncn1.
What is the InChIKey of N'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is PHNCJINVJGZFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-2-21-16-12-15(18-13-19-16)20(11-7-10-17)14-8-5-3-4-6-9-14/h12-14H,2-11,17H2,1H3.
What are the key properties of N'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine?
N'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N'-(6-ethoxypyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 66317669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).