3-(2-aminopropyl)pyrrolidine-1-carboximidamide

C8H18N4 — CID 21018796

IUPAC3-(2-aminopropyl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CC(C)N)C1
InChIInChI=1S/C8H18N4/c1-6(9)4-7-2-3-12(5-7)8(10)11/h6-7H,2-5,9H2,1H3,(H3,10,11)
InChIKeyRKVKTZCKIHKADH-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.06
Rot. Bonds2

About 3-(2-aminopropyl)pyrrolidine-1-carboximidamide

3-(2-aminopropyl)pyrrolidine-1-carboximidamide (PubChem CID 21018796) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(2-aminopropyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-(2-aminopropyl)pyrrolidine-1-carboximidamide
PubChem CID21018796
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name3-(2-aminopropyl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CC(C)N)C1
InChIInChI=1S/C8H18N4/c1-6(9)4-7-2-3-12(5-7)8(10)11/h6-7H,2-5,9H2,1H3,(H3,10,11)
InChIKeyRKVKTZCKIHKADH-UHFFFAOYSA-N
XLogP-0.06
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylbutyl)piperidine-1-carboximidamide
CID 21018807
(3S)-3-fluoropyrrolidine-1-carboximidamide
CID 129494117
1-(1-methylpyrrolidin-3-yl)propan-2-amine
CID 71433430
3-(diethylamino)pyrrolidine-1-carboximidamide
CID 63174989
4-[(methylideneamino)methyl]piperidine-1-carboximidamide
CID 58804643
4-(2-fluoroethyl)piperidine-1-carboximidamide
CID 121201056
4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide
CID 142657807
4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride
CID 137373042
3-methylsulfanylpyrrolidine-1-carboximidamide
CID 130993566
3-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 89453120
2-(1-aminoethyl)piperidine-1-carboximidamide
CID 18663754
N-[[(3S)-1-carbamimidoylpiperidin-3-yl]methyl]acetamide
CID 139656045

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropyl)pyrrolidine-1-carboximidamide?
The IUPAC name of 3-(2-aminopropyl)pyrrolidine-1-carboximidamide (CID 21018796) is 3-(2-aminopropyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-(2-aminopropyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for 3-(2-aminopropyl)pyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCC(CC(C)N)C1.
What is the InChIKey of 3-(2-aminopropyl)pyrrolidine-1-carboximidamide?
The InChIKey is RKVKTZCKIHKADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-6(9)4-7-2-3-12(5-7)8(10)11/h6-7H,2-5,9H2,1H3,(H3,10,11).
What are the key properties of 3-(2-aminopropyl)pyrrolidine-1-carboximidamide?
3-(2-aminopropyl)pyrrolidine-1-carboximidamide has a molecular weight of 170.26 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 21018796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).