N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine

C10H18N4 — CID 62761735

IUPACN-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine
SMILESc1ncc(CNCCN2CCCC2)[nH]1
InChIInChI=1S/C10H18N4/c1-2-5-14(4-1)6-3-11-7-10-8-12-9-13-10/h8-9,11H,1-7H2,(H,12,13)
InChIKeyICYUOSJHOGNREU-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.60
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine

N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 62761735) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine
PubChem CID62761735
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine
SMILESc1ncc(CNCCN2CCCC2)[nH]1
InChIInChI=1S/C10H18N4/c1-2-5-14(4-1)6-3-11-7-10-8-12-9-13-10/h8-9,11H,1-7H2,(H,12,13)
InChIKeyICYUOSJHOGNREU-UHFFFAOYSA-N
XLogP0.60
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine (CID 62761735) is N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine is c1ncc(CNCCN2CCCC2)[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is ICYUOSJHOGNREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-5-14(4-1)6-3-11-7-10-8-12-9-13-10/h8-9,11H,1-7H2,(H,12,13).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine?
N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 194.28 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 62761735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).