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

C14H27N3 — CID 65492946

IUPAC2-[1-[(4-propylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCC(CCC)CC2)CC1
InChIInChI=1S/C14H27N3/c1-2-3-12-4-8-17(9-5-12)11-14(6-7-14)10-13(15)16/h12H,2-11H2,1H3,(H3,15,16)
InChIKeyFRHZELZLLRBGEU-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.60
Rot. Bonds6

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

2-[1-[(4-propylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide (PubChem CID 65492946) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[1-[(4-propylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[(4-propylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
PubChem CID65492946
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-[1-[(4-propylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCC(CCC)CC2)CC1
InChIInChI=1S/C14H27N3/c1-2-3-12-4-8-17(9-5-12)11-14(6-7-14)10-13(15)16/h12H,2-11H2,1H3,(H3,15,16)
InChIKeyFRHZELZLLRBGEU-UHFFFAOYSA-N
XLogP2.60
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

2-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 65494369
2-[1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 65492522
2-[1-[(4-tert-butylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 65494177
2-[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopropyl]ethanimidamide
CID 65492133
1-[[1-(bromomethyl)cyclopropyl]methyl]-4-propylpiperidine
CID 65013559
2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 65493773
2-[1-(3-azaspiro[5.5]undecan-3-ylmethyl)cyclopropyl]ethanimidamide
CID 65494395
[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methanol
CID 55055613
2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 102958559
N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63494206
2-[1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopropyl]ethanethioamide
CID 65497226
N-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 62392876

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-propylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[(4-propylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide (CID 65492946) is 2-[1-[(4-propylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[(4-propylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[(4-propylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN2CCC(CCC)CC2)CC1.
What is the InChIKey of 2-[1-[(4-propylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The InChIKey is FRHZELZLLRBGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-3-12-4-8-17(9-5-12)11-14(6-7-14)10-13(15)16/h12H,2-11H2,1H3,(H3,15,16).
What are the key properties of 2-[1-[(4-propylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
2-[1-[(4-propylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide has a molecular weight of 237.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-propylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65492946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).