N-butyl-N-cyclopropylbutanimidamide

C11H22N2 — CID 63176623

IUPACN-butyl-N-cyclopropylbutanimidamide
SMILES[H]/N=C(\CCC)N(CCCC)C1CC1
InChIInChI=1S/C11H22N2/c1-3-5-9-13(10-7-8-10)11(12)6-4-2/h10,12H,3-9H2,1-2H3/b12-11+
InChIKeyZBRRQNTXSXWROH-VAWYXSNFSA-N
MW182.31 g/mol
LogP3.03
Rot. Bonds6

About N-butyl-N-cyclopropylbutanimidamide

N-butyl-N-cyclopropylbutanimidamide (PubChem CID 63176623) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-butyl-N-cyclopropylbutanimidamide.

Molecular Properties

Compound NameN-butyl-N-cyclopropylbutanimidamide
PubChem CID63176623
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-butyl-N-cyclopropylbutanimidamide
SMILES[H]/N=C(\CCC)N(CCCC)C1CC1
InChIInChI=1S/C11H22N2/c1-3-5-9-13(10-7-8-10)11(12)6-4-2/h10,12H,3-9H2,1-2H3/b12-11+
InChIKeyZBRRQNTXSXWROH-VAWYXSNFSA-N
XLogP3.03
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.03
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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Related Compounds

N,N-dibutylbutanimidamide
CID 63175446
3-amino-N-butyl-N-cyclopropylpropanamide
CID 60944847
N-butyl-N-cyclopropylbut-2-enamide
CID 112726716
N-butyl-N-ethylhexanimidamide;propane
CID 155716636
N-(1,1-dioxothiolan-3-yl)-N-methylbutanimidamide
CID 63176291
N-butyl-N-cyclopropyl-3-piperidin-4-ylpropanamide
CID 62210210
1-butyl-1,3-dicyclopropylurea
CID 115579407
N-butyl-N-cyclopropylpyrrolidine-1-carboxamide
CID 115579406
1-butyl-1,3-dicyclopropylthiourea
CID 115579485
N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide
CID 63176137
N-butyl-2-cyano-N-cyclopropylacetamide
CID 61443044
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropylbutanimidamide?
The IUPAC name of N-butyl-N-cyclopropylbutanimidamide (CID 63176623) is N-butyl-N-cyclopropylbutanimidamide.
What is the SMILES notation for N-butyl-N-cyclopropylbutanimidamide?
The canonical SMILES for N-butyl-N-cyclopropylbutanimidamide is [H]/N=C(\CCC)N(CCCC)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropylbutanimidamide?
The InChIKey is ZBRRQNTXSXWROH-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-5-9-13(10-7-8-10)11(12)6-4-2/h10,12H,3-9H2,1-2H3/b12-11+.
What are the key properties of N-butyl-N-cyclopropylbutanimidamide?
N-butyl-N-cyclopropylbutanimidamide has a molecular weight of 182.31 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropylbutanimidamide is sourced from PubChem (CID 63176623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).