(4R)-4-(aminomethyl)-2-methyldodecan-6-one

C14H29NO — CID 126693960

IUPAC(4R)-4-(aminomethyl)-2-methyldodecan-6-one
SMILESCCCCCCC(=O)C[C@H](CN)CC(C)C
InChIInChI=1S/C14H29NO/c1-4-5-6-7-8-14(16)10-13(11-15)9-12(2)3/h12-13H,4-11,15H2,1-3H3/t13-/m1/s1
InChIKeyJEXMRLWWKPKGID-CYBMUJFWSA-N
MW227.39 g/mol
LogP3.54
Rot. Bonds10

About (4R)-4-(aminomethyl)-2-methyldodecan-6-one

(4R)-4-(aminomethyl)-2-methyldodecan-6-one (PubChem CID 126693960) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (4R)-4-(aminomethyl)-2-methyldodecan-6-one.

Molecular Properties

Compound Name(4R)-4-(aminomethyl)-2-methyldodecan-6-one
PubChem CID126693960
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(4R)-4-(aminomethyl)-2-methyldodecan-6-one
SMILESCCCCCCC(=O)C[C@H](CN)CC(C)C
InChIInChI=1S/C14H29NO/c1-4-5-6-7-8-14(16)10-13(11-15)9-12(2)3/h12-13H,4-11,15H2,1-3H3/t13-/m1/s1
InChIKeyJEXMRLWWKPKGID-CYBMUJFWSA-N
XLogP3.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyltetradecan-6-one
CID 57292607
2-methylhexadecan-4-one
CID 63411798
2-methylhexadecane-4,7-dione
CID 57053022
7-(aminomethyl)-3,9-dimethyldecan-5-one
CID 116576821
6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one
CID 116577005
2-(2-methylpropyl)decan-1-amine
CID 63498111
2-hydroxyundecan-4-one
CID 57218315
1-amino-2-methyltetradecan-5-one
CID 116607429
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
1-amino-4-oxohenicosane-2-sulfonic acid
CID 18681316
(2R)-N-dodecyl-2-(2-methylpropyl)-4-oxohenicosanamide
CID 158633377
4-methyltetradecan-6-one
CID 12635285

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(aminomethyl)-2-methyldodecan-6-one?
The IUPAC name of (4R)-4-(aminomethyl)-2-methyldodecan-6-one (CID 126693960) is (4R)-4-(aminomethyl)-2-methyldodecan-6-one.
What is the SMILES notation for (4R)-4-(aminomethyl)-2-methyldodecan-6-one?
The canonical SMILES for (4R)-4-(aminomethyl)-2-methyldodecan-6-one is CCCCCCC(=O)C[C@H](CN)CC(C)C.
What is the InChIKey of (4R)-4-(aminomethyl)-2-methyldodecan-6-one?
The InChIKey is JEXMRLWWKPKGID-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-5-6-7-8-14(16)10-13(11-15)9-12(2)3/h12-13H,4-11,15H2,1-3H3/t13-/m1/s1.
What are the key properties of (4R)-4-(aminomethyl)-2-methyldodecan-6-one?
(4R)-4-(aminomethyl)-2-methyldodecan-6-one has a molecular weight of 227.39 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(aminomethyl)-2-methyldodecan-6-one is sourced from PubChem (CID 126693960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).