N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine

C13H24N4O — CID 63871029

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine
SMILESCn1ccnc1NCCCOC1CCC(N)CC1
InChIInChI=1S/C13H24N4O/c1-17-9-8-16-13(17)15-7-2-10-18-12-5-3-11(14)4-6-12/h8-9,11-12H,2-7,10,14H2,1H3,(H,15,16)
InChIKeyMEYRZWWHPOSVNT-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.51
Rot. Bonds6

About N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine

N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine (PubChem CID 63871029) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine
PubChem CID63871029
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine
SMILESCn1ccnc1NCCCOC1CCC(N)CC1
InChIInChI=1S/C13H24N4O/c1-17-9-8-16-13(17)15-7-2-10-18-12-5-3-11(14)4-6-12/h8-9,11-12H,2-7,10,14H2,1H3,(H,15,16)
InChIKeyMEYRZWWHPOSVNT-UHFFFAOYSA-N
XLogP1.51
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine
CID 106876136
N-cyclopropyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine
CID 62132212
N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine
CID 115975401
2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide
CID 63869356
3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide
CID 63870860
N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331858
N-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine
CID 63870539
N-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine
CID 63870709
N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine
CID 62133824
N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide
CID 103120763
N-[3-(4-aminocyclohexyl)oxypropyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65276170
N-(3-ethoxypropyl)-1-(1-methylpyrrolidin-3-yl)imidazol-2-amine
CID 106566544

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine (CID 63871029) is N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine is Cn1ccnc1NCCCOC1CCC(N)CC1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine?
The InChIKey is MEYRZWWHPOSVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-17-9-8-16-13(17)15-7-2-10-18-12-5-3-11(14)4-6-12/h8-9,11-12H,2-7,10,14H2,1H3,(H,15,16).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine?
N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 63871029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).