methanamine;tridecan-1-amine

C14H34N2 — CID 22649914

IUPACmethanamine;tridecan-1-amine
SMILESCCCCCCCCCCCCCN.CN
InChIInChI=1S/C13H29N.CH5N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-2/h2-14H2,1H3;2H2,1H3
InChIKeyMKCYUSORTYYKMW-UHFFFAOYSA-N
MW230.44 g/mol
LogP3.83
Rot. Bonds11

About methanamine;tridecan-1-amine

methanamine;tridecan-1-amine (PubChem CID 22649914) has the molecular formula C14H34N2 and a molecular weight of 230.44 g/mol. Its IUPAC name is methanamine;tridecan-1-amine.

Molecular Properties

Compound Namemethanamine;tridecan-1-amine
PubChem CID22649914
Molecular FormulaC14H34N2
Molecular Weight230.44 g/mol
Exact Mass230.27
IUPAC Namemethanamine;tridecan-1-amine
SMILESCCCCCCCCCCCCCN.CN
InChIInChI=1S/C13H29N.CH5N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-2/h2-14H2,1H3;2H2,1H3
InChIKeyMKCYUSORTYYKMW-UHFFFAOYSA-N
XLogP3.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.44
LogP ≤ 53.83
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

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
octadecan-1-amine;titanium
CID 174493472
decane;decane-1,10-diamine;methanediamine
CID 158649191
tetracosan-1-amine;hydrobromide
CID 175600580
octadecan-1-amine;trihydrochloride
CID 175177898
copper;hexan-1-amine
CID 87269039
nonan-1-amine;dihydrate
CID 174770026
pentadecan-1-amine;hydrobromide
CID 173087623

Frequently Asked Questions

What is the IUPAC name of methanamine;tridecan-1-amine?
The IUPAC name of methanamine;tridecan-1-amine (CID 22649914) is methanamine;tridecan-1-amine.
What is the SMILES notation for methanamine;tridecan-1-amine?
The canonical SMILES for methanamine;tridecan-1-amine is CCCCCCCCCCCCCN.CN.
What is the InChIKey of methanamine;tridecan-1-amine?
The InChIKey is MKCYUSORTYYKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N.CH5N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-2/h2-14H2,1H3;2H2,1H3.
What are the key properties of methanamine;tridecan-1-amine?
methanamine;tridecan-1-amine has a molecular weight of 230.44 g/mol, XLogP of 3.83, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;tridecan-1-amine is sourced from PubChem (CID 22649914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).