6-chloro-N-propan-2-yl-N-propylhexan-1-amine

C12H26ClN — CID 62227256

IUPAC6-chloro-N-propan-2-yl-N-propylhexan-1-amine
SMILESCCCN(CCCCCCCl)C(C)C
InChIInChI=1S/C12H26ClN/c1-4-10-14(12(2)3)11-8-6-5-7-9-13/h12H,4-11H2,1-3H3
InChIKeyNNAUZHRSDBSUJE-UHFFFAOYSA-N
MW219.80 g/mol
LogP3.91
Rot. Bonds9

About 6-chloro-N-propan-2-yl-N-propylhexan-1-amine

6-chloro-N-propan-2-yl-N-propylhexan-1-amine (PubChem CID 62227256) has the molecular formula C12H26ClN and a molecular weight of 219.80 g/mol. Its IUPAC name is 6-chloro-N-propan-2-yl-N-propylhexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-propan-2-yl-N-propylhexan-1-amine
PubChem CID62227256
Molecular FormulaC12H26ClN
Molecular Weight219.80 g/mol
Exact Mass219.18
IUPAC Name6-chloro-N-propan-2-yl-N-propylhexan-1-amine
SMILESCCCN(CCCCCCCl)C(C)C
InChIInChI=1S/C12H26ClN/c1-4-10-14(12(2)3)11-8-6-5-7-9-13/h12H,4-11H2,1-3H3
InChIKeyNNAUZHRSDBSUJE-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.80
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-N-propan-2-yldecan-1-amine
CID 55183302
5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
CID 82960772
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
3-[6-chlorohexyl(propan-2-yl)amino]propanenitrile
CID 62229326
3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine
CID 106730857
N-propan-2-yl-N-propylhex-5-en-1-amine
CID 174192838
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 63389217
6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine
CID 62227074
3-(4-methylpentoxy)-N-propan-2-yl-N-propylpropan-1-amine
CID 164556993
N-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine
CID 171588480

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-propan-2-yl-N-propylhexan-1-amine?
The IUPAC name of 6-chloro-N-propan-2-yl-N-propylhexan-1-amine (CID 62227256) is 6-chloro-N-propan-2-yl-N-propylhexan-1-amine.
What is the SMILES notation for 6-chloro-N-propan-2-yl-N-propylhexan-1-amine?
The canonical SMILES for 6-chloro-N-propan-2-yl-N-propylhexan-1-amine is CCCN(CCCCCCCl)C(C)C.
What is the InChIKey of 6-chloro-N-propan-2-yl-N-propylhexan-1-amine?
The InChIKey is NNAUZHRSDBSUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClN/c1-4-10-14(12(2)3)11-8-6-5-7-9-13/h12H,4-11H2,1-3H3.
What are the key properties of 6-chloro-N-propan-2-yl-N-propylhexan-1-amine?
6-chloro-N-propan-2-yl-N-propylhexan-1-amine has a molecular weight of 219.80 g/mol, XLogP of 3.91, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-propan-2-yl-N-propylhexan-1-amine is sourced from PubChem (CID 62227256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).