N-tert-butylsulfanylpent-4-en-2-amine;ethane

C11H25NS — CID 155711996

IUPACN-tert-butylsulfanylpent-4-en-2-amine;ethane
SMILESC=CCC(C)NSC(C)(C)C.CC
InChIInChI=1S/C9H19NS.C2H6/c1-6-7-8(2)10-11-9(3,4)5;1-2/h6,8,10H,1,7H2,2-5H3;1-2H3
InChIKeyHNEJMRBHPKBDHL-UHFFFAOYSA-N
MW203.39 g/mol
LogP4.01
Rot. Bonds4

About N-tert-butylsulfanylpent-4-en-2-amine;ethane

N-tert-butylsulfanylpent-4-en-2-amine;ethane (PubChem CID 155711996) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N-tert-butylsulfanylpent-4-en-2-amine;ethane.

Molecular Properties

Compound NameN-tert-butylsulfanylpent-4-en-2-amine;ethane
PubChem CID155711996
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN-tert-butylsulfanylpent-4-en-2-amine;ethane
SMILESC=CCC(C)NSC(C)(C)C.CC
InChIInChI=1S/C9H19NS.C2H6/c1-6-7-8(2)10-11-9(3,4)5;1-2/h6,8,10H,1,7H2,2-5H3;1-2H3
InChIKeyHNEJMRBHPKBDHL-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3,3,4-trimethylhepta-1,6-diene
CID 142059658
2-methyl-1-(pent-4-en-2-ylamino)butan-2-ol
CID 114493625
2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide
CID 114329139
1-tert-butylsulfanyl-N-methylpent-4-en-2-amine
CID 65132724
pent-4-en-2-ylcarbamic acid
CID 146626901
4-(2,2-dimethylpropylsulfanyl)pent-1-ene
CID 138478178
potassium pent-4-en-2-olate
CID 143030421
azane;pent-4-en-2-ol
CID 22149561
N-pent-4-en-2-ylcyclopropanecarboxamide
CID 115631347
4-propan-2-ylhepta-1,6-diene
CID 14140894
4-iodopent-1-ene
CID 13244562
(4S)-4-iodopent-1-ene
CID 88562936

Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfanylpent-4-en-2-amine;ethane?
The IUPAC name of N-tert-butylsulfanylpent-4-en-2-amine;ethane (CID 155711996) is N-tert-butylsulfanylpent-4-en-2-amine;ethane.
What is the SMILES notation for N-tert-butylsulfanylpent-4-en-2-amine;ethane?
The canonical SMILES for N-tert-butylsulfanylpent-4-en-2-amine;ethane is C=CCC(C)NSC(C)(C)C.CC.
What is the InChIKey of N-tert-butylsulfanylpent-4-en-2-amine;ethane?
The InChIKey is HNEJMRBHPKBDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS.C2H6/c1-6-7-8(2)10-11-9(3,4)5;1-2/h6,8,10H,1,7H2,2-5H3;1-2H3.
What are the key properties of N-tert-butylsulfanylpent-4-en-2-amine;ethane?
N-tert-butylsulfanylpent-4-en-2-amine;ethane has a molecular weight of 203.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfanylpent-4-en-2-amine;ethane is sourced from PubChem (CID 155711996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).