N-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine

C9H18N4 — CID 114401742

IUPACN-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESC1CNC(NCCC2CCNC2)=N1
InChIInChI=1S/C9H18N4/c1-3-10-7-8(1)2-4-11-9-12-5-6-13-9/h8,10H,1-7H2,(H2,11,12,13)
InChIKeyCEUGBESZZPNYPW-UHFFFAOYSA-N
MW182.27 g/mol
LogP-0.47
Rot. Bonds3

About N-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine

N-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 114401742) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID114401742
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESC1CNC(NCCC2CCNC2)=N1
InChIInChI=1S/C9H18N4/c1-3-10-7-8(1)2-4-11-9-12-5-6-13-9/h8,10H,1-7H2,(H2,11,12,13)
InChIKeyCEUGBESZZPNYPW-UHFFFAOYSA-N
XLogP-0.47
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-4,5-dihydroimidazol-2-amine
CID 115034739
2-methyl-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
CID 103542541
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
N-[2-(4-methoxycyclohexyl)ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 125422318
5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine
CID 116975968
1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine
CID 115041761
2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
CID 165474821
N-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine
CID 71636554
1-methyl-N-(2-pyrrolidin-3-ylethyl)tetrazol-5-amine
CID 63623261
N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63629890
N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-2-amine
CID 63623825
3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65276112

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 114401742) is N-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine is C1CNC(NCCC2CCNC2)=N1.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is CEUGBESZZPNYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-10-7-8(1)2-4-11-9-12-5-6-13-9/h8,10H,1-7H2,(H2,11,12,13).
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 182.27 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 114401742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).