2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine;propane

C12H25NS — CID 144892360

IUPAC2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine;propane
SMILESC=C(CC(C)(C)N)S/C=C\C.CCC
InChIInChI=1S/C9H17NS.C3H8/c1-5-6-11-8(2)7-9(3,4)10;1-3-2/h5-6H,2,7,10H2,1,3-4H3;3H2,1-2H3/b6-5-;
InChIKeyGHRPOBNPFPNHEX-YSMBQZINSA-N
MW215.41 g/mol
LogP4.31
Rot. Bonds4

About 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine;propane

2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine;propane (PubChem CID 144892360) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine;propane.

Molecular Properties

Compound Name2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine;propane
PubChem CID144892360
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine;propane
SMILESC=C(CC(C)(C)N)S/C=C\C.CCC
InChIInChI=1S/C9H17NS.C3H8/c1-5-6-11-8(2)7-9(3,4)10;1-3-2/h5-6H,2,7,10H2,1,3-4H3;3H2,1-2H3/b6-5-;
InChIKeyGHRPOBNPFPNHEX-YSMBQZINSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine;propane?
The IUPAC name of 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine;propane (CID 144892360) is 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine;propane.
What is the SMILES notation for 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine;propane?
The canonical SMILES for 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine;propane is C=C(CC(C)(C)N)S/C=C\C.CCC.
What is the InChIKey of 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine;propane?
The InChIKey is GHRPOBNPFPNHEX-YSMBQZINSA-N. The full InChI is InChI=1S/C9H17NS.C3H8/c1-5-6-11-8(2)7-9(3,4)10;1-3-2/h5-6H,2,7,10H2,1,3-4H3;3H2,1-2H3/b6-5-;.
What are the key properties of 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine;propane?
2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine;propane has a molecular weight of 215.41 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine;propane is sourced from PubChem (CID 144892360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).