cyclopropanecarboxylic acid;decan-1-amine

C14H29NO2 — CID 157428816

IUPACcyclopropanecarboxylic acid;decan-1-amine
SMILESCCCCCCCCCCN.O=C(O)C1CC1
InChIInChI=1S/C10H23N.C4H6O2/c1-2-3-4-5-6-7-8-9-10-11;5-4(6)3-1-2-3/h2-11H2,1H3;3H,1-2H2,(H,5,6)
InChIKeyBQHAHUSZEKWBRJ-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.57
Rot. Bonds9

About cyclopropanecarboxylic acid;decan-1-amine

cyclopropanecarboxylic acid;decan-1-amine (PubChem CID 157428816) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is cyclopropanecarboxylic acid;decan-1-amine.

Molecular Properties

Compound Namecyclopropanecarboxylic acid;decan-1-amine
PubChem CID157428816
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Namecyclopropanecarboxylic acid;decan-1-amine
SMILESCCCCCCCCCCN.O=C(O)C1CC1
InChIInChI=1S/C10H23N.C4H6O2/c1-2-3-4-5-6-7-8-9-10-11;5-4(6)3-1-2-3/h2-11H2,1H3;3H,1-2H2,(H,5,6)
InChIKeyBQHAHUSZEKWBRJ-UHFFFAOYSA-N
XLogP3.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.57
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

cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638
octan-1-amine;propanoic acid
CID 87949597
acetic acid;hexacosan-1-amine
CID 172814522
acetic acid;hexan-1-amine
CID 174564294
carbamic acid;hexan-1-amine
CID 158177123
4-heptoxycarbonylcyclohexane-1-carboxylic acid
CID 66984396
4-tridecoxycarbonylcyclohexane-1-carboxylic acid
CID 141262604
4-hexoxycarbonylcyclohexane-1-carboxylic acid
CID 66983917
4-(aminomethyl)cyclohexane-1-carboxylic acid;octanoic acid
CID 145137565
4-heptylcyclohexane-1-carboxylic acid;hydrochloride
CID 70374677
hexadecan-1-amine;propan-2-one
CID 175396285
4-(3-aminopropyl)cyclohexane-1-carboxylic acid
CID 126844543

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarboxylic acid;decan-1-amine?
The IUPAC name of cyclopropanecarboxylic acid;decan-1-amine (CID 157428816) is cyclopropanecarboxylic acid;decan-1-amine.
What is the SMILES notation for cyclopropanecarboxylic acid;decan-1-amine?
The canonical SMILES for cyclopropanecarboxylic acid;decan-1-amine is CCCCCCCCCCN.O=C(O)C1CC1.
What is the InChIKey of cyclopropanecarboxylic acid;decan-1-amine?
The InChIKey is BQHAHUSZEKWBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C4H6O2/c1-2-3-4-5-6-7-8-9-10-11;5-4(6)3-1-2-3/h2-11H2,1H3;3H,1-2H2,(H,5,6).
What are the key properties of cyclopropanecarboxylic acid;decan-1-amine?
cyclopropanecarboxylic acid;decan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarboxylic acid;decan-1-amine is sourced from PubChem (CID 157428816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).