N-bromodecan-2-amine

C10H22BrN — CID 150287649

IUPACN-bromodecan-2-amine
SMILESCCCCCCCCC(C)NBr
InChIInChI=1S/C10H22BrN/c1-3-4-5-6-7-8-9-10(2)12-11/h10,12H,3-9H2,1-2H3
InChIKeyIPWHCXFAGPMWGY-UHFFFAOYSA-N
MW236.20 g/mol
LogP4.03
Rot. Bonds8

About N-bromodecan-2-amine

N-bromodecan-2-amine (PubChem CID 150287649) has the molecular formula C10H22BrN and a molecular weight of 236.20 g/mol. Its IUPAC name is N-bromodecan-2-amine.

Molecular Properties

Compound NameN-bromodecan-2-amine
PubChem CID150287649
Molecular FormulaC10H22BrN
Molecular Weight236.20 g/mol
Exact Mass235.09
IUPAC NameN-bromodecan-2-amine
SMILESCCCCCCCCC(C)NBr
InChIInChI=1S/C10H22BrN/c1-3-4-5-6-7-8-9-10(2)12-11/h10,12H,3-9H2,1-2H3
InChIKeyIPWHCXFAGPMWGY-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tetradecan-2-yltetradecan-2-amine
CID 20841578
N-methyltetradecan-2-amine
CID 54073704
N-hexadecan-2-ylhydroxylamine
CID 54390562
N-fluorooctan-2-amine
CID 88597566
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-propylnonan-2-amine
CID 43129664
N-heptan-2-yldodecan-1-amine
CID 63491878
N-butylundecan-2-amine
CID 90035852
N-octan-2-ylundecan-1-amine
CID 150124606
1-heptan-2-yl-2-methylhydrazine
CID 123380974
(2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine
CID 94840789

Frequently Asked Questions

What is the IUPAC name of N-bromodecan-2-amine?
The IUPAC name of N-bromodecan-2-amine (CID 150287649) is N-bromodecan-2-amine.
What is the SMILES notation for N-bromodecan-2-amine?
The canonical SMILES for N-bromodecan-2-amine is CCCCCCCCC(C)NBr.
What is the InChIKey of N-bromodecan-2-amine?
The InChIKey is IPWHCXFAGPMWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrN/c1-3-4-5-6-7-8-9-10(2)12-11/h10,12H,3-9H2,1-2H3.
What are the key properties of N-bromodecan-2-amine?
N-bromodecan-2-amine has a molecular weight of 236.20 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromodecan-2-amine is sourced from PubChem (CID 150287649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).