3,3-dimethyl-N-propylhept-5-en-1-amine

C12H24N- — CID 123423961

IUPAC3,3-dimethyl-N-propylhept-5-en-1-amine
SMILESCC=CCC(C)(C)CCNC[CH-]C
InChIInChI=1S/C12H24N/c1-5-7-8-12(3,4)9-11-13-10-6-2/h5-7,13H,8-11H2,1-4H3/q-1
InChIKeyZXICPGBEZRZLTN-UHFFFAOYSA-N
MW182.33 g/mol
LogP3.18
Rot. Bonds7

About 3,3-dimethyl-N-propylhept-5-en-1-amine

3,3-dimethyl-N-propylhept-5-en-1-amine (PubChem CID 123423961) has the molecular formula C12H24N- and a molecular weight of 182.33 g/mol. Its IUPAC name is 3,3-dimethyl-N-propylhept-5-en-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propylhept-5-en-1-amine
PubChem CID123423961
Molecular FormulaC12H24N-
Molecular Weight182.33 g/mol
Exact Mass182.19
IUPAC Name3,3-dimethyl-N-propylhept-5-en-1-amine
SMILESCC=CCC(C)(C)CCNC[CH-]C
InChIInChI=1S/C12H24N/c1-5-7-8-12(3,4)9-11-13-10-6-2/h5-7,13H,8-11H2,1-4H3/q-1
InChIKeyZXICPGBEZRZLTN-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-Azaspiro[3.5]non-1-enehydrochloride
CID 165652470
Methyl[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methyl]amine
CID 178190289
Di(2 propenyl)piperidine
CID 69724067
4-tert-Butyl-1,2,3,6-tetrahydropyridine
CID 21519703
(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
CID 90261572
(2S)-N,2-diethyl-3-fluorohex-4-en-1-amine
CID 134441528
(Z)-10-fluoro-N,2,2,4,4-pentamethyldec-6-en-1-amine
CID 143769144
3-[(2Z)-4-fluoropenta-2,4-dienyl]-3-methylpyrrolidine
CID 167199904
(Z)-2-ethyl-3-fluoro-N-methylhex-4-en-1-amine
CID 170132026
(E)-2,2-dimethyl-N-(2-methylpropyl)oct-4-en-1-amine
CID 10013384
3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 10081888
N-but-3-enyl-3-methylhex-5-en-1-amine
CID 11480662

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propylhept-5-en-1-amine?
The IUPAC name of 3,3-dimethyl-N-propylhept-5-en-1-amine (CID 123423961) is 3,3-dimethyl-N-propylhept-5-en-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-propylhept-5-en-1-amine?
The canonical SMILES for 3,3-dimethyl-N-propylhept-5-en-1-amine is CC=CCC(C)(C)CCNC[CH-]C.
What is the InChIKey of 3,3-dimethyl-N-propylhept-5-en-1-amine?
The InChIKey is ZXICPGBEZRZLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N/c1-5-7-8-12(3,4)9-11-13-10-6-2/h5-7,13H,8-11H2,1-4H3/q-1.
What are the key properties of 3,3-dimethyl-N-propylhept-5-en-1-amine?
3,3-dimethyl-N-propylhept-5-en-1-amine has a molecular weight of 182.33 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propylhept-5-en-1-amine is sourced from PubChem (CID 123423961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).