cis-(1S,2S)-N,N-diethyl-2-heptylcyclopropane-1-carboxamide

C15H29NO — CID 102327285

IUPACcis-(1S,2S)-N,N-diethyl-2-heptylcyclopropane-1-carboxamide
SMILESCCCCCCC[C@H]1C[C@@H]1C(=O)N(CC)CC
InChIInChI=1S/C15H29NO/c1-4-7-8-9-10-11-13-12-14(13)15(17)16(5-2)6-3/h13-14H,4-12H2,1-3H3/t13-,14-/m0/s1
InChIKeyZLDVMBIPOIWFEM-KBPBESRZSA-N
MW239.40 g/mol
LogP3.85
Rot. Bonds9

About cis-(1S,2S)-N,N-diethyl-2-heptylcyclopropane-1-carboxamide

cis-(1S,2S)-N,N-diethyl-2-heptylcyclopropane-1-carboxamide (PubChem CID 102327285) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is cis-(1S,2S)-N,N-diethyl-2-heptylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N,N-diethyl-2-heptylcyclopropane-1-carboxamide
PubChem CID102327285
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Namecis-(1S,2S)-N,N-diethyl-2-heptylcyclopropane-1-carboxamide
SMILESCCCCCCC[C@H]1C[C@@H]1C(=O)N(CC)CC
InChIInChI=1S/C15H29NO/c1-4-7-8-9-10-11-13-12-14(13)15(17)16(5-2)6-3/h13-14H,4-12H2,1-3H3/t13-,14-/m0/s1
InChIKeyZLDVMBIPOIWFEM-KBPBESRZSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S,2R)-2-tetradecylcyclopropyl]hexan-1-one
CID 101388120
trans-methyl (1R,2S)-2-hexylcyclopropane-1-carboxylate
CID 12509721
2-[5-[(2R,3R)-3-octyl-5-oxabicyclo[2.1.1]hexan-2-yl]pentyl]cyclopropane-1-carboxylic acid
CID 22816193
N,N-diethyl-4-heptylpiperidine-2-carboxamide
CID 106778380
(2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide
CID 10638801
cis-(1R,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide
CID 121226955
methyl 8-(2-octylcyclopropyl)-8-oxooctanoate
CID 543365
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
3-(2-heptylcyclopropyl)propanoic acid
CID 75293982
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320
10-[(1R,2S)-2-hexylcyclopropyl]decanamide
CID 90478669

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N,N-diethyl-2-heptylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N,N-diethyl-2-heptylcyclopropane-1-carboxamide (CID 102327285) is cis-(1S,2S)-N,N-diethyl-2-heptylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N,N-diethyl-2-heptylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N,N-diethyl-2-heptylcyclopropane-1-carboxamide is CCCCCCC[C@H]1C[C@@H]1C(=O)N(CC)CC.
What is the InChIKey of cis-(1S,2S)-N,N-diethyl-2-heptylcyclopropane-1-carboxamide?
The InChIKey is ZLDVMBIPOIWFEM-KBPBESRZSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-7-8-9-10-11-13-12-14(13)15(17)16(5-2)6-3/h13-14H,4-12H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of cis-(1S,2S)-N,N-diethyl-2-heptylcyclopropane-1-carboxamide?
cis-(1S,2S)-N,N-diethyl-2-heptylcyclopropane-1-carboxamide has a molecular weight of 239.40 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N,N-diethyl-2-heptylcyclopropane-1-carboxamide is sourced from PubChem (CID 102327285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).