1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine

C13H23N3O2 — CID 106563876

IUPAC1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NCC1CCCCO1
InChIInChI=1S/C13H23N3O2/c1-11(10-17-2)16-7-6-14-13(16)15-9-12-5-3-4-8-18-12/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,14,15)
InChIKeyCSYHXSMPGJAJFW-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.07
Rot. Bonds6

About 1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine

1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine (PubChem CID 106563876) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine
PubChem CID106563876
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NCC1CCCCO1
InChIInChI=1S/C13H23N3O2/c1-11(10-17-2)16-7-6-14-13(16)15-9-12-5-3-4-8-18-12/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,14,15)
InChIKeyCSYHXSMPGJAJFW-UHFFFAOYSA-N
XLogP2.07
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106555195
N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560082
N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106563648
1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine
CID 106570244
1-(1-methoxypropan-2-yl)-N-(1-methylcyclobutyl)imidazol-2-amine
CID 106580375
1-cyclopropyl-N-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560101
N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556138
N-(2-ethoxypropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106581219
1-methoxy-N-(oxan-2-ylmethyl)propan-2-amine
CID 43403662
N-(4-tert-butylphenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556239
1-(1-methoxypropan-2-yl)-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
CID 106566534
N-(2,2-diethyloxan-4-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106578814

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine (CID 106563876) is 1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine is COCC(C)n1ccnc1NCC1CCCCO1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine?
The InChIKey is CSYHXSMPGJAJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-11(10-17-2)16-7-6-14-13(16)15-9-12-5-3-4-8-18-12/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,14,15).
What are the key properties of 1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine?
1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine has a molecular weight of 253.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106563876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).