N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine

C12H21N3O — CID 62957533

IUPACN-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
SMILESCCCn1ccnc1CNC1CCOCC1
InChIInChI=1S/C12H21N3O/c1-2-6-15-7-5-13-12(15)10-14-11-3-8-16-9-4-11/h5,7,11,14H,2-4,6,8-10H2,1H3
InChIKeyNLGSUADSUOZNCI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.56
Rot. Bonds5

About N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine

N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine (PubChem CID 62957533) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
PubChem CID62957533
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
SMILESCCCn1ccnc1CNC1CCOCC1
InChIInChI=1S/C12H21N3O/c1-2-6-15-7-5-13-12(15)10-14-11-3-8-16-9-4-11/h5,7,11,14H,2-4,6,8-10H2,1H3
InChIKeyNLGSUADSUOZNCI-UHFFFAOYSA-N
XLogP1.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 83032603
N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
CID 46784421
N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
CID 55048995
3-methyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 62955948
3,3,5,5-tetramethyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 103965567
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65162327
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
CID 62223232
1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one
CID 114164351
1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 62350120
N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine
CID 79739257
N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine
CID 115641638
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81394730

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine (CID 62957533) is N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine is CCCn1ccnc1CNC1CCOCC1.
What is the InChIKey of N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine?
The InChIKey is NLGSUADSUOZNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-6-15-7-5-13-12(15)10-14-11-3-8-16-9-4-11/h5,7,11,14H,2-4,6,8-10H2,1H3.
What are the key properties of N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine?
N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine has a molecular weight of 223.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine is sourced from PubChem (CID 62957533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).