2-[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopropyl]ethanimidamide

C14H27N3 — CID 65492133

IUPAC2-[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCCC(C)(C)CC2)CC1
InChIInChI=1S/C14H27N3/c1-13(2)4-3-8-17(9-7-13)11-14(5-6-14)10-12(15)16/h3-11H2,1-2H3,(H3,15,16)
InChIKeyQHQNDFFKBNJFAP-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.60
Rot. Bonds4

About 2-[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopropyl]ethanimidamide

2-[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopropyl]ethanimidamide (PubChem CID 65492133) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopropyl]ethanimidamide
PubChem CID65492133
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCCC(C)(C)CC2)CC1
InChIInChI=1S/C14H27N3/c1-13(2)4-3-8-17(9-7-13)11-14(5-6-14)10-12(15)16/h3-11H2,1-2H3,(H3,15,16)
InChIKeyQHQNDFFKBNJFAP-UHFFFAOYSA-N
XLogP2.60
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.60
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-[(4,4-dimethylazepan-1-yl)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopropyl]ethanimidamide (CID 65492133) is 2-[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN2CCCC(C)(C)CC2)CC1.
What is the InChIKey of 2-[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopropyl]ethanimidamide?
The InChIKey is QHQNDFFKBNJFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-13(2)4-3-8-17(9-7-13)11-14(5-6-14)10-12(15)16/h3-11H2,1-2H3,(H3,15,16).
What are the key properties of 2-[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopropyl]ethanimidamide?
2-[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopropyl]ethanimidamide has a molecular weight of 237.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65492133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).