N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine

C14H26N4 — CID 66146507

IUPACN-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCCN(CC)CCCn1cncc1CNC1CC1
InChIInChI=1S/C14H26N4/c1-3-17(4-2)8-5-9-18-12-15-10-14(18)11-16-13-6-7-13/h10,12-13,16H,3-9,11H2,1-2H3
InChIKeyUHRBGKBVYSHCPJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.87
Rot. Bonds9

About N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine

N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 66146507) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine
PubChem CID66146507
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCCN(CC)CCCn1cncc1CNC1CC1
InChIInChI=1S/C14H26N4/c1-3-17(4-2)8-5-9-18-12-15-10-14(18)11-16-13-6-7-13/h10,12-13,16H,3-9,11H2,1-2H3
InChIKeyUHRBGKBVYSHCPJ-UHFFFAOYSA-N
XLogP1.87
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66146516
N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114097853
4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 66129378
1-propyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134778
N-[[3-(3,3,3-trifluoropropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66151603
N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine
CID 66129398
N-[[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66150756
N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66150734
1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine
CID 66133818
N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66148807
3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol
CID 66129997
N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402201

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine (CID 66146507) is N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine is CCN(CC)CCCn1cncc1CNC1CC1.
What is the InChIKey of N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is UHRBGKBVYSHCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-17(4-2)8-5-9-18-12-15-10-14(18)11-16-13-6-7-13/h10,12-13,16H,3-9,11H2,1-2H3.
What are the key properties of N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine?
N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 250.39 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66146507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).