(6R)-6-tert-butyloct-7-en-1-amine

C12H25N — CID 153380235

IUPAC(6R)-6-tert-butyloct-7-en-1-amine
SMILESC=C[C@@H](CCCCCN)C(C)(C)C
InChIInChI=1S/C12H25N/c1-5-11(12(2,3)4)9-7-6-8-10-13/h5,11H,1,6-10,13H2,2-4H3/t11-/m0/s1
InChIKeyBKNQIUZADDSWKR-NSHDSACASA-N
MW183.34 g/mol
LogP3.35
Rot. Bonds6

About (6R)-6-tert-butyloct-7-en-1-amine

(6R)-6-tert-butyloct-7-en-1-amine (PubChem CID 153380235) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (6R)-6-tert-butyloct-7-en-1-amine.

Molecular Properties

Compound Name(6R)-6-tert-butyloct-7-en-1-amine
PubChem CID153380235
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(6R)-6-tert-butyloct-7-en-1-amine
SMILESC=C[C@@H](CCCCCN)C(C)(C)C
InChIInChI=1S/C12H25N/c1-5-11(12(2,3)4)9-7-6-8-10-13/h5,11H,1,6-10,13H2,2-4H3/t11-/m0/s1
InChIKeyBKNQIUZADDSWKR-NSHDSACASA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.35
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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Related Compounds

6-fluoro-7,7-dimethyloctan-1-amine
CID 83855226
4-ethenyldecane;octan-1-amine
CID 177360659
7-amino-2-ethenylheptane-1-thiol
CID 166703636
12-ethyltetradecan-1-amine
CID 87456130
36-methylheptatriacontan-1-amine
CID 134324173
2-prop-2-enylhexane-1,6-diamine
CID 89126683
5-hexyldodecan-1-amine
CID 129015386
pentacosane-1,13,25-triamine
CID 174653759
18-methylnonadecan-1-amine;hydrochloride
CID 173047380
(8S)-nonane-1,8-diamine
CID 87205838
decane-1,9-diamine
CID 23448369
undecane-1,10-diamine
CID 140782210

Frequently Asked Questions

What is the IUPAC name of (6R)-6-tert-butyloct-7-en-1-amine?
The IUPAC name of (6R)-6-tert-butyloct-7-en-1-amine (CID 153380235) is (6R)-6-tert-butyloct-7-en-1-amine.
What is the SMILES notation for (6R)-6-tert-butyloct-7-en-1-amine?
The canonical SMILES for (6R)-6-tert-butyloct-7-en-1-amine is C=C[C@@H](CCCCCN)C(C)(C)C.
What is the InChIKey of (6R)-6-tert-butyloct-7-en-1-amine?
The InChIKey is BKNQIUZADDSWKR-NSHDSACASA-N. The full InChI is InChI=1S/C12H25N/c1-5-11(12(2,3)4)9-7-6-8-10-13/h5,11H,1,6-10,13H2,2-4H3/t11-/m0/s1.
What are the key properties of (6R)-6-tert-butyloct-7-en-1-amine?
(6R)-6-tert-butyloct-7-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-tert-butyloct-7-en-1-amine is sourced from PubChem (CID 153380235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).