N,N,2-trimethyl-3-propan-2-ylhex-4-en-3-amine

C12H25N — CID 141408968

IUPACN,N,2-trimethyl-3-propan-2-ylhex-4-en-3-amine
SMILESCC=CC(C(C)C)(C(C)C)N(C)C
InChIInChI=1S/C12H25N/c1-8-9-12(10(2)3,11(4)5)13(6)7/h8-11H,1-7H3
InChIKeyDBMXARYXOBSFGP-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.17
Rot. Bonds4

About N,N,2-trimethyl-3-propan-2-ylhex-4-en-3-amine

N,N,2-trimethyl-3-propan-2-ylhex-4-en-3-amine (PubChem CID 141408968) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N,N,2-trimethyl-3-propan-2-ylhex-4-en-3-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-3-propan-2-ylhex-4-en-3-amine
PubChem CID141408968
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN,N,2-trimethyl-3-propan-2-ylhex-4-en-3-amine
SMILESCC=CC(C(C)C)(C(C)C)N(C)C
InChIInChI=1S/C12H25N/c1-8-9-12(10(2)3,11(4)5)13(6)7/h8-11H,1-7H3
InChIKeyDBMXARYXOBSFGP-UHFFFAOYSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-Di(propan-2-yl)-2,3,4,7-tetrahydroazepine
CID 59559425
1,4-Di(propan-2-yl)-2,3,4,7-tetrahydroazepine
CID 59559547
1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine
CID 67104168
(1S)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine
CID 68634677
(1R)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine
CID 68975876
(E)-N,N,7-trimethyloct-3-en-1-amine
CID 89190567
1,6,6-Tri(propan-2-yl)-2,5-dihydropyridine
CID 122598433
N,N,4,5-tetramethylhept-2-en-1-amine
CID 123364693
N,N,2-trimethyl-1-(3-methylpent-1-enyl)cyclopropan-1-amine
CID 123536771
N,N,3-trimethylhex-4-en-3-amine
CID 123572913
Trimethyl(7-methyloct-3-enyl)azanium
CID 123575758
N,N,2,3-tetramethylhex-5-en-3-amine
CID 126610902

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-3-propan-2-ylhex-4-en-3-amine?
The IUPAC name of N,N,2-trimethyl-3-propan-2-ylhex-4-en-3-amine (CID 141408968) is N,N,2-trimethyl-3-propan-2-ylhex-4-en-3-amine.
What is the SMILES notation for N,N,2-trimethyl-3-propan-2-ylhex-4-en-3-amine?
The canonical SMILES for N,N,2-trimethyl-3-propan-2-ylhex-4-en-3-amine is CC=CC(C(C)C)(C(C)C)N(C)C.
What is the InChIKey of N,N,2-trimethyl-3-propan-2-ylhex-4-en-3-amine?
The InChIKey is DBMXARYXOBSFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-8-9-12(10(2)3,11(4)5)13(6)7/h8-11H,1-7H3.
What are the key properties of N,N,2-trimethyl-3-propan-2-ylhex-4-en-3-amine?
N,N,2-trimethyl-3-propan-2-ylhex-4-en-3-amine has a molecular weight of 183.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-3-propan-2-ylhex-4-en-3-amine is sourced from PubChem (CID 141408968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).