N',N'-dimethyl-N-[1-(2-octylcyclopropyl)heptadecan-8-yl]butanehydrazide

C34H68N2O — CID 174915443

IUPACN',N'-dimethyl-N-[1-(2-octylcyclopropyl)heptadecan-8-yl]butanehydrazide
SMILESCCCCCCCCCC(CCCCCCCC1CC1CCCCCCCC)N(C(=O)CCC)N(C)C
InChIInChI=1S/C34H68N2O/c1-6-9-11-13-15-19-23-28-33(36(35(4)5)34(37)25-8-3)29-24-20-16-18-22-27-32-30-31(32)26-21-17-14-12-10-7-2/h31-33H,6-30H2,1-5H3
InChIKeyPQJCFTKNAUMLBJ-UHFFFAOYSA-N
MW520.93 g/mol
LogP10.72
Rot. Bonds27

About N',N'-dimethyl-N-[1-(2-octylcyclopropyl)heptadecan-8-yl]butanehydrazide

N',N'-dimethyl-N-[1-(2-octylcyclopropyl)heptadecan-8-yl]butanehydrazide (PubChem CID 174915443) has the molecular formula C34H68N2O and a molecular weight of 520.93 g/mol. Its IUPAC name is N',N'-dimethyl-N-[1-(2-octylcyclopropyl)heptadecan-8-yl]butanehydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-N-[1-(2-octylcyclopropyl)heptadecan-8-yl]butanehydrazide
PubChem CID174915443
Molecular FormulaC34H68N2O
Molecular Weight520.93 g/mol
Exact Mass520.53
IUPAC NameN',N'-dimethyl-N-[1-(2-octylcyclopropyl)heptadecan-8-yl]butanehydrazide
SMILESCCCCCCCCCC(CCCCCCCC1CC1CCCCCCCC)N(C(=O)CCC)N(C)C
InChIInChI=1S/C34H68N2O/c1-6-9-11-13-15-19-23-28-33(36(35(4)5)34(37)25-8-3)29-24-20-16-18-22-27-32-30-31(32)26-21-17-14-12-10-7-2/h31-33H,6-30H2,1-5H3
InChIKeyPQJCFTKNAUMLBJ-UHFFFAOYSA-N
XLogP10.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.93
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-21-[(1S,2R)-2-octylcyclopropyl]henicosan-10-amine
CID 56944623
1-(2-dodecylcyclopropyl)-N,N-dimethyltetradecan-5-amine
CID 126711427
(8S)-N,N-dimethyl-1-[(2R)-2-octylcyclopropyl]pentadecan-8-amine
CID 126566336
N,N-dimethyl-1-(2-nonylcyclopropyl)heptadecan-8-amine
CID 138529106
ethyl 4-[2-[11-(dimethylamino)icosyl]cyclopropyl]butanoate
CID 71678300
ethyl 6-[2-[9-(dimethylamino)hexadecyl]cyclopropyl]hexanoate
CID 71678297
ethyl 8-[2-[9-(dimethylamino)hexadecyl]cyclopropyl]octanoate
CID 71678465
methyl 8-[2-[9-(dimethylamino)heptadecyl]cyclopropyl]octanoate
CID 71679970
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
10-[(1R,2S)-2-hexylcyclopropyl]decanamide
CID 90478669
3-(2-heptylcyclopropyl)propanoic acid
CID 75293982

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[1-(2-octylcyclopropyl)heptadecan-8-yl]butanehydrazide?
The IUPAC name of N',N'-dimethyl-N-[1-(2-octylcyclopropyl)heptadecan-8-yl]butanehydrazide (CID 174915443) is N',N'-dimethyl-N-[1-(2-octylcyclopropyl)heptadecan-8-yl]butanehydrazide.
What is the SMILES notation for N',N'-dimethyl-N-[1-(2-octylcyclopropyl)heptadecan-8-yl]butanehydrazide?
The canonical SMILES for N',N'-dimethyl-N-[1-(2-octylcyclopropyl)heptadecan-8-yl]butanehydrazide is CCCCCCCCCC(CCCCCCCC1CC1CCCCCCCC)N(C(=O)CCC)N(C)C.
What is the InChIKey of N',N'-dimethyl-N-[1-(2-octylcyclopropyl)heptadecan-8-yl]butanehydrazide?
The InChIKey is PQJCFTKNAUMLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68N2O/c1-6-9-11-13-15-19-23-28-33(36(35(4)5)34(37)25-8-3)29-24-20-16-18-22-27-32-30-31(32)26-21-17-14-12-10-7-2/h31-33H,6-30H2,1-5H3.
What are the key properties of N',N'-dimethyl-N-[1-(2-octylcyclopropyl)heptadecan-8-yl]butanehydrazide?
N',N'-dimethyl-N-[1-(2-octylcyclopropyl)heptadecan-8-yl]butanehydrazide has a molecular weight of 520.93 g/mol, XLogP of 10.72, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[1-(2-octylcyclopropyl)heptadecan-8-yl]butanehydrazide is sourced from PubChem (CID 174915443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).