N-tert-butylhept-1-en-2-amine

C11H23N — CID 143357741

IUPACN-tert-butylhept-1-en-2-amine
SMILESC=C(CCCCC)NC(C)(C)C
InChIInChI=1S/C11H23N/c1-6-7-8-9-10(2)12-11(3,4)5/h12H,2,6-9H2,1,3-5H3
InChIKeyRAIOJRFCVRANJJ-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.47
Rot. Bonds5

About N-tert-butylhept-1-en-2-amine

N-tert-butylhept-1-en-2-amine (PubChem CID 143357741) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-tert-butylhept-1-en-2-amine.

Molecular Properties

Compound NameN-tert-butylhept-1-en-2-amine
PubChem CID143357741
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-tert-butylhept-1-en-2-amine
SMILESC=C(CCCCC)NC(C)(C)C
InChIInChI=1S/C11H23N/c1-6-7-8-9-10(2)12-11(3,4)5/h12H,2,6-9H2,1,3-5H3
InChIKeyRAIOJRFCVRANJJ-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-tert-butylhept-1-en-2-amine?
The IUPAC name of N-tert-butylhept-1-en-2-amine (CID 143357741) is N-tert-butylhept-1-en-2-amine.
What is the SMILES notation for N-tert-butylhept-1-en-2-amine?
The canonical SMILES for N-tert-butylhept-1-en-2-amine is C=C(CCCCC)NC(C)(C)C.
What is the InChIKey of N-tert-butylhept-1-en-2-amine?
The InChIKey is RAIOJRFCVRANJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-6-7-8-9-10(2)12-11(3,4)5/h12H,2,6-9H2,1,3-5H3.
What are the key properties of N-tert-butylhept-1-en-2-amine?
N-tert-butylhept-1-en-2-amine has a molecular weight of 169.31 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylhept-1-en-2-amine is sourced from PubChem (CID 143357741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).