N-[8-(ethylamino)octyl]-1-propan-2-ylcyclopropane-1-carboxamide

C17H34N2O — CID 156820596

IUPACN-[8-(ethylamino)octyl]-1-propan-2-ylcyclopropane-1-carboxamide
SMILESCCNCCCCCCCCNC(=O)C1(C(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-4-18-13-9-7-5-6-8-10-14-19-16(20)17(11-12-17)15(2)3/h15,18H,4-14H2,1-3H3,(H,19,20)
InChIKeyXMAARDXGGCYSEG-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.49
Rot. Bonds12

About N-[8-(ethylamino)octyl]-1-propan-2-ylcyclopropane-1-carboxamide

N-[8-(ethylamino)octyl]-1-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 156820596) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[8-(ethylamino)octyl]-1-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-(ethylamino)octyl]-1-propan-2-ylcyclopropane-1-carboxamide
PubChem CID156820596
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[8-(ethylamino)octyl]-1-propan-2-ylcyclopropane-1-carboxamide
SMILESCCNCCCCCCCCNC(=O)C1(C(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-4-18-13-9-7-5-6-8-10-14-19-16(20)17(11-12-17)15(2)3/h15,18H,4-14H2,1-3H3,(H,19,20)
InChIKeyXMAARDXGGCYSEG-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 119352836
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N-[4-[3-(ethylamino)propyl-methylamino]butyl]-1-methylcyclopropane-1-carboxamide
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CID 107023996
N-[4-(ethylamino)butyl]-2-hydroxyacetamide
CID 147841199
N-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane
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N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
1-amino-N-pentylcyclobutane-1-carboxamide
CID 81167514
4-[3-(ethylamino)propylamino]-2,3-dimethyl-4-oxobutanoic acid
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CID 71878534

Frequently Asked Questions

What is the IUPAC name of N-[8-(ethylamino)octyl]-1-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[8-(ethylamino)octyl]-1-propan-2-ylcyclopropane-1-carboxamide (CID 156820596) is N-[8-(ethylamino)octyl]-1-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-(ethylamino)octyl]-1-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[8-(ethylamino)octyl]-1-propan-2-ylcyclopropane-1-carboxamide is CCNCCCCCCCCNC(=O)C1(C(C)C)CC1.
What is the InChIKey of N-[8-(ethylamino)octyl]-1-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is XMAARDXGGCYSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-18-13-9-7-5-6-8-10-14-19-16(20)17(11-12-17)15(2)3/h15,18H,4-14H2,1-3H3,(H,19,20).
What are the key properties of N-[8-(ethylamino)octyl]-1-propan-2-ylcyclopropane-1-carboxamide?
N-[8-(ethylamino)octyl]-1-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 282.47 g/mol, XLogP of 3.49, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(ethylamino)octyl]-1-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 156820596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).