N-tert-butyl-3-ethylhex-1-en-2-amine

C12H25N — CID 129201373

IUPACN-tert-butyl-3-ethylhex-1-en-2-amine
SMILESC=C(NC(C)(C)C)C(CC)CCC
InChIInChI=1S/C12H25N/c1-7-9-11(8-2)10(3)13-12(4,5)6/h11,13H,3,7-9H2,1-2,4-6H3
InChIKeyISUJEFDPWHSKTQ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.71
Rot. Bonds5

About N-tert-butyl-3-ethylhex-1-en-2-amine

N-tert-butyl-3-ethylhex-1-en-2-amine (PubChem CID 129201373) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-tert-butyl-3-ethylhex-1-en-2-amine.

Molecular Properties

Compound NameN-tert-butyl-3-ethylhex-1-en-2-amine
PubChem CID129201373
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-tert-butyl-3-ethylhex-1-en-2-amine
SMILESC=C(NC(C)(C)C)C(CC)CCC
InChIInChI=1S/C12H25N/c1-7-9-11(8-2)10(3)13-12(4,5)6/h11,13H,3,7-9H2,1-2,4-6H3
InChIKeyISUJEFDPWHSKTQ-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-ethylhex-1-en-2-amine?
The IUPAC name of N-tert-butyl-3-ethylhex-1-en-2-amine (CID 129201373) is N-tert-butyl-3-ethylhex-1-en-2-amine.
What is the SMILES notation for N-tert-butyl-3-ethylhex-1-en-2-amine?
The canonical SMILES for N-tert-butyl-3-ethylhex-1-en-2-amine is C=C(NC(C)(C)C)C(CC)CCC.
What is the InChIKey of N-tert-butyl-3-ethylhex-1-en-2-amine?
The InChIKey is ISUJEFDPWHSKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-7-9-11(8-2)10(3)13-12(4,5)6/h11,13H,3,7-9H2,1-2,4-6H3.
What are the key properties of N-tert-butyl-3-ethylhex-1-en-2-amine?
N-tert-butyl-3-ethylhex-1-en-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-ethylhex-1-en-2-amine is sourced from PubChem (CID 129201373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).