[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

C16H29N3O — CID 102909124

IUPAC[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCC(C)C(Cn1cncc1C(N)C1CCOC1)C(C)C
InChIInChI=1S/C16H29N3O/c1-11(2)14(12(3)4)8-19-10-18-7-15(19)16(17)13-5-6-20-9-13/h7,10-14,16H,5-6,8-9,17H2,1-4H3
InChIKeyHHWMVTODGXNZMS-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.85
Rot. Bonds6

About [3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (PubChem CID 102909124) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is [3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
PubChem CID102909124
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCC(C)C(Cn1cncc1C(N)C1CCOC1)C(C)C
InChIInChI=1S/C16H29N3O/c1-11(2)14(12(3)4)8-19-10-18-7-15(19)16(17)13-5-6-20-9-13/h7,10-14,16H,5-6,8-9,17H2,1-4H3
InChIKeyHHWMVTODGXNZMS-UHFFFAOYSA-N
XLogP2.85
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(cyclopropylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717405
[3-[(4-ethylphenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 106901108
[3-(1,4-dioxan-2-ylmethyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718342
[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114719164
3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide
CID 114719199
[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114715939
[3-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114720958
[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 103013049
2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine
CID 114719000
[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 106410300
[3-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718713
[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114718953

Frequently Asked Questions

What is the IUPAC name of [3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The IUPAC name of [3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (CID 102909124) is [3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.
What is the SMILES notation for [3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The canonical SMILES for [3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is CC(C)C(Cn1cncc1C(N)C1CCOC1)C(C)C.
What is the InChIKey of [3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The InChIKey is HHWMVTODGXNZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-11(2)14(12(3)4)8-19-10-18-7-15(19)16(17)13-5-6-20-9-13/h7,10-14,16H,5-6,8-9,17H2,1-4H3.
What are the key properties of [3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine has a molecular weight of 279.43 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is sourced from PubChem (CID 102909124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).