acetamide;decan-1-amine

C12H28N2O — CID 160911015

IUPACacetamide;decan-1-amine
SMILESCC(N)=O.CCCCCCCCCCN
InChIInChI=1S/C10H23N.C2H5NO/c1-2-3-4-5-6-7-8-9-10-11;1-2(3)4/h2-11H2,1H3;1H3,(H2,3,4)
InChIKeySQTXAFAVLGGZAH-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.58
Rot. Bonds8

About acetamide;decan-1-amine

acetamide;decan-1-amine (PubChem CID 160911015) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is acetamide;decan-1-amine.

Molecular Properties

Compound Nameacetamide;decan-1-amine
PubChem CID160911015
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Nameacetamide;decan-1-amine
SMILESCC(N)=O.CCCCCCCCCCN
InChIInChI=1S/C10H23N.C2H5NO/c1-2-3-4-5-6-7-8-9-10-11;1-2(3)4/h2-11H2,1H3;1H3,(H2,3,4)
InChIKeySQTXAFAVLGGZAH-UHFFFAOYSA-N
XLogP2.58
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.58
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

hexadecan-1-amine;propan-2-one
CID 175396285
acetic acid;hexan-1-amine
CID 174564294
carbamic acid;hexan-1-amine
CID 158177123
acetic acid;hexacosan-1-amine
CID 172814522
dodecan-1-amine;guanidine
CID 172680887
dodecan-1-amine;hydroxylamine
CID 175960605
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
octan-1-amine;propanoic acid
CID 87949597

Frequently Asked Questions

What is the IUPAC name of acetamide;decan-1-amine?
The IUPAC name of acetamide;decan-1-amine (CID 160911015) is acetamide;decan-1-amine.
What is the SMILES notation for acetamide;decan-1-amine?
The canonical SMILES for acetamide;decan-1-amine is CC(N)=O.CCCCCCCCCCN.
What is the InChIKey of acetamide;decan-1-amine?
The InChIKey is SQTXAFAVLGGZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C2H5NO/c1-2-3-4-5-6-7-8-9-10-11;1-2(3)4/h2-11H2,1H3;1H3,(H2,3,4).
What are the key properties of acetamide;decan-1-amine?
acetamide;decan-1-amine has a molecular weight of 216.37 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;decan-1-amine is sourced from PubChem (CID 160911015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).