N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine

C11H17N5 — CID 59825984

IUPACN,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ncc[nH]1)Cc1ncc[nH]1
InChIInChI=1S/C11H17N5/c1-9(2)16(7-10-12-3-4-13-10)8-11-14-5-6-15-11/h3-6,9H,7-8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyFHTKOBDGHATWCA-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.54
Rot. Bonds5

About N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine

N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine (PubChem CID 59825984) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine
PubChem CID59825984
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ncc[nH]1)Cc1ncc[nH]1
InChIInChI=1S/C11H17N5/c1-9(2)16(7-10-12-3-4-13-10)8-11-14-5-6-15-11/h3-6,9H,7-8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyFHTKOBDGHATWCA-UHFFFAOYSA-N
XLogP1.54
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine
CID 176673035
(5S)-5-[[1H-imidazol-2-ylmethyl(propan-2-yl)amino]methyl]pyrrolidin-2-one
CID 95136036
N-ethyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 14627457
N'-[1-(1H-imidazol-2-yl)ethyl]-N'-(1H-imidazol-2-ylmethyl)butane-1,4-diamine
CID 23079176
N-(1H-imidazol-2-ylmethyl)-N-methylethanamine
CID 55285283
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804
3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 64518886
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-methyl-1H-imidazol-5-yl)methanamine
CID 50955176
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 64511881
2-(2-bromopropyl)-1H-imidazole
CID 61096377
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)methanamine
CID 56918228

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine?
The IUPAC name of N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine (CID 59825984) is N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine?
The canonical SMILES for N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine is CC(C)N(Cc1ncc[nH]1)Cc1ncc[nH]1.
What is the InChIKey of N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine?
The InChIKey is FHTKOBDGHATWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-9(2)16(7-10-12-3-4-13-10)8-11-14-5-6-15-11/h3-6,9H,7-8H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine?
N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 59825984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).