tetradecan-3-amine;hydrobromide

C14H32BrN — CID 173393490

IUPACtetradecan-3-amine;hydrobromide
SMILESBr.CCCCCCCCCCCC(N)CC
InChIInChI=1S/C14H31N.BrH/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2;/h14H,3-13,15H2,1-2H3;1H
InChIKeyQRNJZWJERTZYDM-UHFFFAOYSA-N
MW294.32 g/mol
LogP5.22
Rot. Bonds11

About tetradecan-3-amine;hydrobromide

tetradecan-3-amine;hydrobromide (PubChem CID 173393490) has the molecular formula C14H32BrN and a molecular weight of 294.32 g/mol. Its IUPAC name is tetradecan-3-amine;hydrobromide.

Molecular Properties

Compound Nametetradecan-3-amine;hydrobromide
PubChem CID173393490
Molecular FormulaC14H32BrN
Molecular Weight294.32 g/mol
Exact Mass293.17
IUPAC Nametetradecan-3-amine;hydrobromide
SMILESBr.CCCCCCCCCCCC(N)CC
InChIInChI=1S/C14H31N.BrH/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2;/h14H,3-13,15H2,1-2H3;1H
InChIKeyQRNJZWJERTZYDM-UHFFFAOYSA-N
XLogP5.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.32
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 19435959
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CID 173389490
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acetic acid;decan-3-amine
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acetic acid;henicosan-3-amine
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tetradecane-3,11-diamine
CID 170279817
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CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;octan-3-amine
CID 88665123
(4R)-tridecan-4-amine
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Frequently Asked Questions

What is the IUPAC name of tetradecan-3-amine;hydrobromide?
The IUPAC name of tetradecan-3-amine;hydrobromide (CID 173393490) is tetradecan-3-amine;hydrobromide.
What is the SMILES notation for tetradecan-3-amine;hydrobromide?
The canonical SMILES for tetradecan-3-amine;hydrobromide is Br.CCCCCCCCCCCC(N)CC.
What is the InChIKey of tetradecan-3-amine;hydrobromide?
The InChIKey is QRNJZWJERTZYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N.BrH/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2;/h14H,3-13,15H2,1-2H3;1H.
What are the key properties of tetradecan-3-amine;hydrobromide?
tetradecan-3-amine;hydrobromide has a molecular weight of 294.32 g/mol, XLogP of 5.22, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecan-3-amine;hydrobromide is sourced from PubChem (CID 173393490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).