dodecan-1-amine;dodecan-2-amine

C24H54N2 — CID 88815564

IUPACdodecan-1-amine;dodecan-2-amine
SMILESCCCCCCCCCCC(C)N.CCCCCCCCCCCCN
InChIInChI=1S/2C12H27N/c1-3-4-5-6-7-8-9-10-11-12(2)13;1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,3-11,13H2,1-2H3;2-13H2,1H3
InChIKeyRDMTVNMWAHOBDP-UHFFFAOYSA-N
MW370.71 g/mol
LogP7.73
Rot. Bonds19

About dodecan-1-amine;dodecan-2-amine

dodecan-1-amine;dodecan-2-amine (PubChem CID 88815564) has the molecular formula C24H54N2 and a molecular weight of 370.71 g/mol. Its IUPAC name is dodecan-1-amine;dodecan-2-amine.

Molecular Properties

Compound Namedodecan-1-amine;dodecan-2-amine
PubChem CID88815564
Molecular FormulaC24H54N2
Molecular Weight370.71 g/mol
Exact Mass370.43
IUPAC Namedodecan-1-amine;dodecan-2-amine
SMILESCCCCCCCCCCC(C)N.CCCCCCCCCCCCN
InChIInChI=1S/2C12H27N/c1-3-4-5-6-7-8-9-10-11-12(2)13;1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,3-11,13H2,1-2H3;2-13H2,1H3
InChIKeyRDMTVNMWAHOBDP-UHFFFAOYSA-N
XLogP7.73
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.71
LogP ≤ 57.73
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

(2S)-tetradecan-2-amine
CID 25021238
(8S)-nonane-1,8-diamine
CID 87205838
(2S)-tridecan-2-amine
CID 24884182
decane-1,9-diamine
CID 23448369
undecane-1,10-diamine
CID 140782210
(2S)-nonadecan-2-amine
CID 94864909
tetradecan-2-amine;hydrobromide
CID 175070931
dodecan-2-amine;hydrochloride
CID 86195878
octadecane-1,5-diamine
CID 154229011
nonadecane-2,14-diamine
CID 89095951
nonadecane-1,13-diamine
CID 102135569
undecane-1,6-diamine
CID 18419788

Frequently Asked Questions

What is the IUPAC name of dodecan-1-amine;dodecan-2-amine?
The IUPAC name of dodecan-1-amine;dodecan-2-amine (CID 88815564) is dodecan-1-amine;dodecan-2-amine.
What is the SMILES notation for dodecan-1-amine;dodecan-2-amine?
The canonical SMILES for dodecan-1-amine;dodecan-2-amine is CCCCCCCCCCC(C)N.CCCCCCCCCCCCN.
What is the InChIKey of dodecan-1-amine;dodecan-2-amine?
The InChIKey is RDMTVNMWAHOBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H27N/c1-3-4-5-6-7-8-9-10-11-12(2)13;1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,3-11,13H2,1-2H3;2-13H2,1H3.
What are the key properties of dodecan-1-amine;dodecan-2-amine?
dodecan-1-amine;dodecan-2-amine has a molecular weight of 370.71 g/mol, XLogP of 7.73, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-amine;dodecan-2-amine is sourced from PubChem (CID 88815564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).