N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-imidazol-2-yl)methanamine

C11H17N3 — CID 115757770

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-imidazol-2-yl)methanamine
SMILESc1c[nH]c(CNCC2(C3CC3)CC2)n1
InChIInChI=1S/C11H17N3/c1-2-9(1)11(3-4-11)8-12-7-10-13-5-6-14-10/h5-6,9,12H,1-4,7-8H2,(H,13,14)
InChIKeyBOXRSOHAORFGPI-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.69
Rot. Bonds5

About N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-imidazol-2-yl)methanamine

N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-imidazol-2-yl)methanamine (PubChem CID 115757770) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-imidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-imidazol-2-yl)methanamine
PubChem CID115757770
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-imidazol-2-yl)methanamine
SMILESc1c[nH]c(CNCC2(C3CC3)CC2)n1
InChIInChI=1S/C11H17N3/c1-2-9(1)11(3-4-11)8-12-7-10-13-5-6-14-10/h5-6,9,12H,1-4,7-8H2,(H,13,14)
InChIKeyBOXRSOHAORFGPI-UHFFFAOYSA-N
XLogP1.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(1H-imidazol-2-yl)methanamine
CID 103992157
4,4-difluoro-N-(1H-imidazol-2-ylmethyl)cyclohexan-1-amine
CID 126782159
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 115757840
N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
CID 115757833
N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 80705410
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 115757779
1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 72697709
N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 46784320
2-[(1H-imidazol-2-ylmethylamino)methyl]phenol
CID 63001095
N-[(1-cyclopropylcyclopropyl)methyl]-1-(3,5-dichlorophenyl)methanamine
CID 114095565
1-(1H-imidazol-2-yl)-N-iodomethanamine
CID 139514112
1-(1H-imidazol-2-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine
CID 119126089

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-imidazol-2-yl)methanamine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-imidazol-2-yl)methanamine (CID 115757770) is N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-imidazol-2-yl)methanamine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-imidazol-2-yl)methanamine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-imidazol-2-yl)methanamine is c1c[nH]c(CNCC2(C3CC3)CC2)n1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-imidazol-2-yl)methanamine?
The InChIKey is BOXRSOHAORFGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-9(1)11(3-4-11)8-12-7-10-13-5-6-14-10/h5-6,9,12H,1-4,7-8H2,(H,13,14).
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-imidazol-2-yl)methanamine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-imidazol-2-yl)methanamine has a molecular weight of 191.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-imidazol-2-yl)methanamine is sourced from PubChem (CID 115757770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).