N-tert-butylhex-3-en-1-amine

C10H21N — CID 112734327

IUPACN-tert-butylhex-3-en-1-amine
SMILESCCC=CCCNC(C)(C)C
InChIInChI=1S/C10H21N/c1-5-6-7-8-9-11-10(2,3)4/h6-7,11H,5,8-9H2,1-4H3
InChIKeyTYEMOQOIFFTVDT-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.73
Rot. Bonds4

About N-tert-butylhex-3-en-1-amine

N-tert-butylhex-3-en-1-amine (PubChem CID 112734327) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-tert-butylhex-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butylhex-3-en-1-amine
PubChem CID112734327
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-tert-butylhex-3-en-1-amine
SMILESCCC=CCCNC(C)(C)C
InChIInChI=1S/C10H21N/c1-5-6-7-8-9-11-10(2,3)4/h6-7,11H,5,8-9H2,1-4H3
InChIKeyTYEMOQOIFFTVDT-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylhex-3-en-1-amine?
The IUPAC name of N-tert-butylhex-3-en-1-amine (CID 112734327) is N-tert-butylhex-3-en-1-amine.
What is the SMILES notation for N-tert-butylhex-3-en-1-amine?
The canonical SMILES for N-tert-butylhex-3-en-1-amine is CCC=CCCNC(C)(C)C.
What is the InChIKey of N-tert-butylhex-3-en-1-amine?
The InChIKey is TYEMOQOIFFTVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-6-7-8-9-11-10(2,3)4/h6-7,11H,5,8-9H2,1-4H3.
What are the key properties of N-tert-butylhex-3-en-1-amine?
N-tert-butylhex-3-en-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylhex-3-en-1-amine is sourced from PubChem (CID 112734327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).