(2S)-2-iodo-N-propylpropan-1-amine

C6H14IN — CID 139491704

IUPAC(2S)-2-iodo-N-propylpropan-1-amine
SMILESCCCNC[C@H](C)I
InChIInChI=1S/C6H14IN/c1-3-4-8-5-6(2)7/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyDBJUUSZHOQTJSL-LURJTMIESA-N
MW227.09 g/mol
LogP1.81
Rot. Bonds4

About (2S)-2-iodo-N-propylpropan-1-amine

(2S)-2-iodo-N-propylpropan-1-amine (PubChem CID 139491704) has the molecular formula C6H14IN and a molecular weight of 227.09 g/mol. Its IUPAC name is (2S)-2-iodo-N-propylpropan-1-amine.

Molecular Properties

Compound Name(2S)-2-iodo-N-propylpropan-1-amine
PubChem CID139491704
Molecular FormulaC6H14IN
Molecular Weight227.09 g/mol
Exact Mass227.02
IUPAC Name(2S)-2-iodo-N-propylpropan-1-amine
SMILESCCCNC[C@H](C)I
InChIInChI=1S/C6H14IN/c1-3-4-8-5-6(2)7/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyDBJUUSZHOQTJSL-LURJTMIESA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-propylpropan-1-amine
CID 520943
trimethyl(propylaminomethyl)phosphanium
CID 167202945
2-methylsulfanyl-N-propylpropan-1-amine
CID 62581187
2-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 62569751
2-tert-butyl-3-methyl-N-propylpentan-1-amine
CID 83138330
2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 63981278
(2S)-2-ethoxy-N-propylpropan-1-amine
CID 176570323
N,2-dipropylpentan-1-amine
CID 62530512
2-methyl-1-N-propylpentane-1,4-diamine
CID 123759475
N,2-dimethylpropan-1-amine;2-methylbutane;2-methyl-N-propylpropan-1-amine
CID 167692749
4-ethyl-2,3-dimethyl-N-propylhexan-1-amine
CID 81015927
3-methyl-4-(propylamino)butanal
CID 123538675

Frequently Asked Questions

What is the IUPAC name of (2S)-2-iodo-N-propylpropan-1-amine?
The IUPAC name of (2S)-2-iodo-N-propylpropan-1-amine (CID 139491704) is (2S)-2-iodo-N-propylpropan-1-amine.
What is the SMILES notation for (2S)-2-iodo-N-propylpropan-1-amine?
The canonical SMILES for (2S)-2-iodo-N-propylpropan-1-amine is CCCNC[C@H](C)I.
What is the InChIKey of (2S)-2-iodo-N-propylpropan-1-amine?
The InChIKey is DBJUUSZHOQTJSL-LURJTMIESA-N. The full InChI is InChI=1S/C6H14IN/c1-3-4-8-5-6(2)7/h6,8H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-2-iodo-N-propylpropan-1-amine?
(2S)-2-iodo-N-propylpropan-1-amine has a molecular weight of 227.09 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-iodo-N-propylpropan-1-amine is sourced from PubChem (CID 139491704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).