N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

C14H26N4 — CID 106603082

IUPACN-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCCn1cncc1CN(CC1CCCN1)C(C)C
InChIInChI=1S/C14H26N4/c1-4-17-11-15-8-14(17)10-18(12(2)3)9-13-6-5-7-16-13/h8,11-13,16H,4-7,9-10H2,1-3H3
InChIKeyABQMGQBLNMMQIF-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.87
Rot. Bonds6

About N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (PubChem CID 106603082) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
PubChem CID106603082
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCCn1cncc1CN(CC1CCCN1)C(C)C
InChIInChI=1S/C14H26N4/c1-4-17-11-15-8-14(17)10-18(12(2)3)9-13-6-5-7-16-13/h8,11-13,16H,4-7,9-10H2,1-3H3
InChIKeyABQMGQBLNMMQIF-UHFFFAOYSA-N
XLogP1.87
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

1-cyclopropyl-N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604446
N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621751
N-[(3-ethylimidazol-4-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606134
N-[(2-ethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603092
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 106623020
5-(2-methylpropyl)-1-(2-pyrrolidin-2-ylethyl)imidazole
CID 114794748
N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603001
N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine
CID 66135560
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614482
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614526

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (CID 106603082) is N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine is CCn1cncc1CN(CC1CCCN1)C(C)C.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The InChIKey is ABQMGQBLNMMQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-17-11-15-8-14(17)10-18(12(2)3)9-13-6-5-7-16-13/h8,11-13,16H,4-7,9-10H2,1-3H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106603082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).