N-butan-2-yl-N-ethylcyclopentanecarboximidamide

C12H24N2 — CID 63176258

IUPACN-butan-2-yl-N-ethylcyclopentanecarboximidamide
SMILES[H]/N=C(/C1CCCC1)N(CC)C(C)CC
InChIInChI=1S/C12H24N2/c1-4-10(3)14(5-2)12(13)11-8-6-7-9-11/h10-11,13H,4-9H2,1-3H3/b13-12-
InChIKeyDDAZIORHRFKSMV-SEYXRHQNSA-N
MW196.34 g/mol
LogP3.27
Rot. Bonds4

About N-butan-2-yl-N-ethylcyclopentanecarboximidamide

N-butan-2-yl-N-ethylcyclopentanecarboximidamide (PubChem CID 63176258) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-butan-2-yl-N-ethylcyclopentanecarboximidamide.

Molecular Properties

Compound NameN-butan-2-yl-N-ethylcyclopentanecarboximidamide
PubChem CID63176258
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-butan-2-yl-N-ethylcyclopentanecarboximidamide
SMILES[H]/N=C(/C1CCCC1)N(CC)C(C)CC
InChIInChI=1S/C12H24N2/c1-4-10(3)14(5-2)12(13)11-8-6-7-9-11/h10-11,13H,4-9H2,1-3H3/b13-12-
InChIKeyDDAZIORHRFKSMV-SEYXRHQNSA-N
XLogP3.27
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-butan-2-yl-N-ethylcyclopentanecarboximidamide?
The IUPAC name of N-butan-2-yl-N-ethylcyclopentanecarboximidamide (CID 63176258) is N-butan-2-yl-N-ethylcyclopentanecarboximidamide.
What is the SMILES notation for N-butan-2-yl-N-ethylcyclopentanecarboximidamide?
The canonical SMILES for N-butan-2-yl-N-ethylcyclopentanecarboximidamide is [H]/N=C(/C1CCCC1)N(CC)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-ethylcyclopentanecarboximidamide?
The InChIKey is DDAZIORHRFKSMV-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-10(3)14(5-2)12(13)11-8-6-7-9-11/h10-11,13H,4-9H2,1-3H3/b13-12-.
What are the key properties of N-butan-2-yl-N-ethylcyclopentanecarboximidamide?
N-butan-2-yl-N-ethylcyclopentanecarboximidamide has a molecular weight of 196.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethylcyclopentanecarboximidamide is sourced from PubChem (CID 63176258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).