(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboximidamide

C8H15N3O — CID 129498943

IUPAC(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboximidamide
SMILES[H]/N=C(\N)N1CC[C@H]2COC[C@H]2C1
InChIInChI=1S/C8H15N3O/c9-8(10)11-2-1-6-4-12-5-7(6)3-11/h6-7H,1-5H2,(H3,9,10)/t6-,7+/m0/s1
InChIKeyRCHSUDXRFBASCY-NKWVEPMBSA-N
MW169.23 g/mol
LogP-0.15
Rot. Bonds

About (3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboximidamide

(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboximidamide (PubChem CID 129498943) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboximidamide.

Molecular Properties

Compound Name(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboximidamide
PubChem CID129498943
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboximidamide
SMILES[H]/N=C(\N)N1CC[C@H]2COC[C@H]2C1
InChIInChI=1S/C8H15N3O/c9-8(10)11-2-1-6-4-12-5-7(6)3-11/h6-7H,1-5H2,(H3,9,10)/t6-,7+/m0/s1
InChIKeyRCHSUDXRFBASCY-NKWVEPMBSA-N
XLogP-0.15
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
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

(3S)-3-fluoropyrrolidine-1-carboximidamide
CID 129494117
3-methylsulfanylpyrrolidine-1-carboximidamide
CID 130993566
(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-amine
CID 129410905
3-(diethylamino)pyrrolidine-1-carboximidamide
CID 63174989
3-(2-aminopropyl)pyrrolidine-1-carboximidamide
CID 21018796
4-(oxan-4-yl)piperazine-1-carboximidamide
CID 121201865
(3aS,7aR)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboximidamide
CID 129495154
1-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)-2-chloropropan-1-one
CID 121202079
(3S)-3-methoxypiperidine-1-carboximidamide
CID 129383624
(2S)-1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-2-chloropropan-1-one
CID 129498671
3-methoxypiperidine-1-carboximidamide
CID 19089238
(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide
CID 129495415

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboximidamide?
The IUPAC name of (3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboximidamide (CID 129498943) is (3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboximidamide.
What is the SMILES notation for (3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboximidamide?
The canonical SMILES for (3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboximidamide is [H]/N=C(\N)N1CC[C@H]2COC[C@H]2C1.
What is the InChIKey of (3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboximidamide?
The InChIKey is RCHSUDXRFBASCY-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15N3O/c9-8(10)11-2-1-6-4-12-5-7(6)3-11/h6-7H,1-5H2,(H3,9,10)/t6-,7+/m0/s1.
What are the key properties of (3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboximidamide?
(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboximidamide has a molecular weight of 169.23 g/mol, XLogP of -0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine-5-carboximidamide is sourced from PubChem (CID 129498943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).