N,4,4,6,6-pentamethyloct-1-en-3-amine

C13H27N — CID 137384042

IUPACN,4,4,6,6-pentamethyloct-1-en-3-amine
SMILESC=CC(NC)C(C)(C)CC(C)(C)CC
InChIInChI=1S/C13H27N/c1-8-11(14-7)13(5,6)10-12(3,4)9-2/h8,11,14H,1,9-10H2,2-7H3
InChIKeyMESPEPUBCQQYTN-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.61
Rot. Bonds6

About N,4,4,6,6-pentamethyloct-1-en-3-amine

N,4,4,6,6-pentamethyloct-1-en-3-amine (PubChem CID 137384042) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N,4,4,6,6-pentamethyloct-1-en-3-amine.

Molecular Properties

Compound NameN,4,4,6,6-pentamethyloct-1-en-3-amine
PubChem CID137384042
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN,4,4,6,6-pentamethyloct-1-en-3-amine
SMILESC=CC(NC)C(C)(C)CC(C)(C)CC
InChIInChI=1S/C13H27N/c1-8-11(14-7)13(5,6)10-12(3,4)9-2/h8,11,14H,1,9-10H2,2-7H3
InChIKeyMESPEPUBCQQYTN-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-4-methylsulfanylpent-1-en-3-amine
CID 130758027
2-N,2-N,3-N,2-tetramethylpent-4-ene-2,3-diamine
CID 79053896
3,3-diethyl-5,5-dimethylhept-1-ene
CID 123741463
N,3,3-trimethyloct-7-en-4-amine
CID 104987331
4,4,6,6-tetramethyloct-2-ene
CID 123519288
2,4,4,5-tetramethyl-N-(2,4,4-trimethylhexan-2-yl)hexan-2-amine
CID 126602658
3,3,5,5-tetramethyl-2-(methyldisulfanyl)heptane
CID 118477991
N-butan-2-yl-4,4-dimethylpent-1-en-3-amine
CID 89195459
6,6-dimethyloct-1-en-3-ol
CID 175204364
4-ethoxy-N-ethyl-4-methylhex-1-en-3-amine
CID 116759022
N,3,5-trimethylhept-6-en-3-amine
CID 89228225
3,5,6,6-tetramethyloct-1-ene
CID 123650579

Frequently Asked Questions

What is the IUPAC name of N,4,4,6,6-pentamethyloct-1-en-3-amine?
The IUPAC name of N,4,4,6,6-pentamethyloct-1-en-3-amine (CID 137384042) is N,4,4,6,6-pentamethyloct-1-en-3-amine.
What is the SMILES notation for N,4,4,6,6-pentamethyloct-1-en-3-amine?
The canonical SMILES for N,4,4,6,6-pentamethyloct-1-en-3-amine is C=CC(NC)C(C)(C)CC(C)(C)CC.
What is the InChIKey of N,4,4,6,6-pentamethyloct-1-en-3-amine?
The InChIKey is MESPEPUBCQQYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-8-11(14-7)13(5,6)10-12(3,4)9-2/h8,11,14H,1,9-10H2,2-7H3.
What are the key properties of N,4,4,6,6-pentamethyloct-1-en-3-amine?
N,4,4,6,6-pentamethyloct-1-en-3-amine has a molecular weight of 197.37 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4,6,6-pentamethyloct-1-en-3-amine is sourced from PubChem (CID 137384042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).