2-[1-(3-azaspiro[5.5]undecan-3-ylmethyl)cyclopropyl]ethanimidamide

C16H29N3 — CID 65494395

IUPAC2-[1-(3-azaspiro[5.5]undecan-3-ylmethyl)cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCC3(CCCCC3)CC2)CC1
InChIInChI=1S/C16H29N3/c17-14(18)12-16(6-7-16)13-19-10-8-15(9-11-19)4-2-1-3-5-15/h1-13H2,(H3,17,18)
InChIKeyBJRNTWJBWSRLMR-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.14
Rot. Bonds4

About 2-[1-(3-azaspiro[5.5]undecan-3-ylmethyl)cyclopropyl]ethanimidamide

2-[1-(3-azaspiro[5.5]undecan-3-ylmethyl)cyclopropyl]ethanimidamide (PubChem CID 65494395) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-[1-(3-azaspiro[5.5]undecan-3-ylmethyl)cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-(3-azaspiro[5.5]undecan-3-ylmethyl)cyclopropyl]ethanimidamide
PubChem CID65494395
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-[1-(3-azaspiro[5.5]undecan-3-ylmethyl)cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCC3(CCCCC3)CC2)CC1
InChIInChI=1S/C16H29N3/c17-14(18)12-16(6-7-16)13-19-10-8-15(9-11-19)4-2-1-3-5-15/h1-13H2,(H3,17,18)
InChIKeyBJRNTWJBWSRLMR-UHFFFAOYSA-N
XLogP3.14
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-azaspiro[5.5]undecan-3-ylmethyl)cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-(3-azaspiro[5.5]undecan-3-ylmethyl)cyclopropyl]ethanimidamide (CID 65494395) is 2-[1-(3-azaspiro[5.5]undecan-3-ylmethyl)cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-(3-azaspiro[5.5]undecan-3-ylmethyl)cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-(3-azaspiro[5.5]undecan-3-ylmethyl)cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN2CCC3(CCCCC3)CC2)CC1.
What is the InChIKey of 2-[1-(3-azaspiro[5.5]undecan-3-ylmethyl)cyclopropyl]ethanimidamide?
The InChIKey is BJRNTWJBWSRLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c17-14(18)12-16(6-7-16)13-19-10-8-15(9-11-19)4-2-1-3-5-15/h1-13H2,(H3,17,18).
What are the key properties of 2-[1-(3-azaspiro[5.5]undecan-3-ylmethyl)cyclopropyl]ethanimidamide?
2-[1-(3-azaspiro[5.5]undecan-3-ylmethyl)cyclopropyl]ethanimidamide has a molecular weight of 263.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-azaspiro[5.5]undecan-3-ylmethyl)cyclopropyl]ethanimidamide is sourced from PubChem (CID 65494395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).