N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine

C13H24N4 — CID 63025346

IUPACN-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
SMILESCN(CCCCNC1CC1)Cc1nccn1C
InChIInChI=1S/C13H24N4/c1-16(11-13-15-8-10-17(13)2)9-4-3-7-14-12-5-6-12/h8,10,12,14H,3-7,9,11H2,1-2H3
InChIKeyLDTVBRIBKKJTBT-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.38
Rot. Bonds8

About N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine

N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine (PubChem CID 63025346) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
PubChem CID63025346
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
SMILESCN(CCCCNC1CC1)Cc1nccn1C
InChIInChI=1S/C13H24N4/c1-16(11-13-15-8-10-17(13)2)9-4-3-7-14-12-5-6-12/h8,10,12,14H,3-7,9,11H2,1-2H3
InChIKeyLDTVBRIBKKJTBT-UHFFFAOYSA-N
XLogP1.38
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025023
N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63024435
N-tert-butyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025347
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine
CID 63024492
6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine
CID 63026955
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine
CID 63025530
N-[[6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906508
3-(cyclopropylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide
CID 106017944
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
methyl 2-amino-2-methyl-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]hexanoate
CID 63026662
N-cyclopropyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine
CID 62132212
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentan-3-ylethane-1,2-diamine
CID 63025196

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine (CID 63025346) is N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine is CN(CCCCNC1CC1)Cc1nccn1C.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine?
The InChIKey is LDTVBRIBKKJTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-16(11-13-15-8-10-17(13)2)9-4-3-7-14-12-5-6-12/h8,10,12,14H,3-7,9,11H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine?
N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine is sourced from PubChem (CID 63025346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).