2-N-(3-cyclopropylpropyl)-5-methylsulfanylpentane-1,2-diamine

C12H26N2S — CID 103089081

IUPAC2-N-(3-cyclopropylpropyl)-5-methylsulfanylpentane-1,2-diamine
SMILESCSCCCC(CN)NCCCC1CC1
InChIInChI=1S/C12H26N2S/c1-15-9-3-5-12(10-13)14-8-2-4-11-6-7-11/h11-12,14H,2-10,13H2,1H3
InChIKeyXSTMKPMCOMQBFA-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.24
Rot. Bonds10

About 2-N-(3-cyclopropylpropyl)-5-methylsulfanylpentane-1,2-diamine

2-N-(3-cyclopropylpropyl)-5-methylsulfanylpentane-1,2-diamine (PubChem CID 103089081) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 2-N-(3-cyclopropylpropyl)-5-methylsulfanylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-cyclopropylpropyl)-5-methylsulfanylpentane-1,2-diamine
PubChem CID103089081
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name2-N-(3-cyclopropylpropyl)-5-methylsulfanylpentane-1,2-diamine
SMILESCSCCCC(CN)NCCCC1CC1
InChIInChI=1S/C12H26N2S/c1-15-9-3-5-12(10-13)14-8-2-4-11-6-7-11/h11-12,14H,2-10,13H2,1H3
InChIKeyXSTMKPMCOMQBFA-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methylsulfanyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 103088956
2-N-(3-cyclopropylpropyl)-4-methoxy-4-methylpentane-1,2-diamine
CID 106675820
2-N-[(2-methylcyclopropyl)methyl]-5-methylsulfanylpentane-1,2-diamine
CID 103089057
5-methylsulfanyl-2-N-prop-2-ynylpentane-1,2-diamine
CID 103088918
2-N-butan-2-yl-5-methylsulfanylpentane-1,2-diamine
CID 103088925
(2R)-2-(3-cyclohexylpropylamino)-4-methylsulfanylbutanamide
CID 70436273
4-methylsulfanyl-2-N-propylbutane-1,2-diamine
CID 62065657
2-N-(cyclopropylmethyl)hexane-1,2-diamine
CID 65384187
N'-(3-cyclopropylpropyl)-2-methoxybutane-1,4-diamine
CID 103152779
N-(3-cyclopentylpropyl)hexan-3-amine
CID 106008928
N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine
CID 104537240
2-methylsulfanylethylcyclopropane
CID 23403340

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-cyclopropylpropyl)-5-methylsulfanylpentane-1,2-diamine?
The IUPAC name of 2-N-(3-cyclopropylpropyl)-5-methylsulfanylpentane-1,2-diamine (CID 103089081) is 2-N-(3-cyclopropylpropyl)-5-methylsulfanylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(3-cyclopropylpropyl)-5-methylsulfanylpentane-1,2-diamine?
The canonical SMILES for 2-N-(3-cyclopropylpropyl)-5-methylsulfanylpentane-1,2-diamine is CSCCCC(CN)NCCCC1CC1.
What is the InChIKey of 2-N-(3-cyclopropylpropyl)-5-methylsulfanylpentane-1,2-diamine?
The InChIKey is XSTMKPMCOMQBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-15-9-3-5-12(10-13)14-8-2-4-11-6-7-11/h11-12,14H,2-10,13H2,1H3.
What are the key properties of 2-N-(3-cyclopropylpropyl)-5-methylsulfanylpentane-1,2-diamine?
2-N-(3-cyclopropylpropyl)-5-methylsulfanylpentane-1,2-diamine has a molecular weight of 230.42 g/mol, XLogP of 2.24, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-cyclopropylpropyl)-5-methylsulfanylpentane-1,2-diamine is sourced from PubChem (CID 103089081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).