2-N-[(2-methylcyclopropyl)methyl]-5-methylsulfanylpentane-1,2-diamine

C11H24N2S — CID 103089057

IUPAC2-N-[(2-methylcyclopropyl)methyl]-5-methylsulfanylpentane-1,2-diamine
SMILESCSCCCC(CN)NCC1CC1C
InChIInChI=1S/C11H24N2S/c1-9-6-10(9)8-13-11(7-12)4-3-5-14-2/h9-11,13H,3-8,12H2,1-2H3
InChIKeyKXODHIDXTOVWNB-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.70
Rot. Bonds8

About 2-N-[(2-methylcyclopropyl)methyl]-5-methylsulfanylpentane-1,2-diamine

2-N-[(2-methylcyclopropyl)methyl]-5-methylsulfanylpentane-1,2-diamine (PubChem CID 103089057) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 2-N-[(2-methylcyclopropyl)methyl]-5-methylsulfanylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-methylcyclopropyl)methyl]-5-methylsulfanylpentane-1,2-diamine
PubChem CID103089057
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name2-N-[(2-methylcyclopropyl)methyl]-5-methylsulfanylpentane-1,2-diamine
SMILESCSCCCC(CN)NCC1CC1C
InChIInChI=1S/C11H24N2S/c1-9-6-10(9)8-13-11(7-12)4-3-5-14-2/h9-11,13H,3-8,12H2,1-2H3
InChIKeyKXODHIDXTOVWNB-UHFFFAOYSA-N
XLogP1.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.70
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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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methylcyclopropyl)methyl]-5-methylsulfanylpentane-1,2-diamine?
The IUPAC name of 2-N-[(2-methylcyclopropyl)methyl]-5-methylsulfanylpentane-1,2-diamine (CID 103089057) is 2-N-[(2-methylcyclopropyl)methyl]-5-methylsulfanylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-methylcyclopropyl)methyl]-5-methylsulfanylpentane-1,2-diamine?
The canonical SMILES for 2-N-[(2-methylcyclopropyl)methyl]-5-methylsulfanylpentane-1,2-diamine is CSCCCC(CN)NCC1CC1C.
What is the InChIKey of 2-N-[(2-methylcyclopropyl)methyl]-5-methylsulfanylpentane-1,2-diamine?
The InChIKey is KXODHIDXTOVWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-9-6-10(9)8-13-11(7-12)4-3-5-14-2/h9-11,13H,3-8,12H2,1-2H3.
What are the key properties of 2-N-[(2-methylcyclopropyl)methyl]-5-methylsulfanylpentane-1,2-diamine?
2-N-[(2-methylcyclopropyl)methyl]-5-methylsulfanylpentane-1,2-diamine has a molecular weight of 216.39 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methylcyclopropyl)methyl]-5-methylsulfanylpentane-1,2-diamine is sourced from PubChem (CID 103089057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).