N-butyl-N,6,6-trimethylazepin-4-amine

C13H22N2 — CID 123334554

IUPACN-butyl-N,6,6-trimethylazepin-4-amine
SMILESCCCCN(C)C1=CC(C)(C)C=NC=C1
InChIInChI=1S/C13H22N2/c1-5-6-9-15(4)12-7-8-14-11-13(2,3)10-12/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyCIACNODZZLPTCZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.23
Rot. Bonds4

About N-butyl-N,6,6-trimethylazepin-4-amine

N-butyl-N,6,6-trimethylazepin-4-amine (PubChem CID 123334554) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-butyl-N,6,6-trimethylazepin-4-amine.

Molecular Properties

Compound NameN-butyl-N,6,6-trimethylazepin-4-amine
PubChem CID123334554
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-butyl-N,6,6-trimethylazepin-4-amine
SMILESCCCCN(C)C1=CC(C)(C)C=NC=C1
InChIInChI=1S/C13H22N2/c1-5-6-9-15(4)12-7-8-14-11-13(2,3)10-12/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyCIACNODZZLPTCZ-UHFFFAOYSA-N
XLogP3.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine
CID 123320059
(4-Ethyl-5-methylocta-2,4,6-trien-3-yl)-methyl-propylideneazanium
CID 123849884
7,7-dimethyl-N,N-dipropylazepin-4-amine
CID 141816593
1-(3H-azepin-4-yl)-N,N-dimethylmethanamine
CID 142207317
N-[2-(3H-azepin-5-yl)ethyl]-N-methylbutan-1-amine
CID 142257717
ethane;methane;5-piperidin-1-yl-3H-azepine
CID 143115625
4-ethenyl-N,6,6-trimethylazepin-3-amine
CID 143260189
N-[(3Z)-4-(ethylideneamino)buta-1,3-dien-2-yl]-N,6-dimethyl-3H-azepin-5-amine
CID 143271836
1,6,6-Trimethyl-2,3-dihydropyrrolo[3,2-b]azepine
CID 143857704
ethane;3,3,7-trimethyl-8,9-dihydro-6H-pyrido[4,3-b]azepine
CID 143857751
N,5,5-trimethyl-N-[(2E,4Z,6E)-1-methyliminoocta-2,4,6-trien-3-yl]cyclohepta-1,3,6-trien-1-amine
CID 144029181
N-[(1E)-1-(3-methylidene-1-propylpyrrol-2-ylidene)ethyl]ethanimine
CID 156122110

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,6,6-trimethylazepin-4-amine?
The IUPAC name of N-butyl-N,6,6-trimethylazepin-4-amine (CID 123334554) is N-butyl-N,6,6-trimethylazepin-4-amine.
What is the SMILES notation for N-butyl-N,6,6-trimethylazepin-4-amine?
The canonical SMILES for N-butyl-N,6,6-trimethylazepin-4-amine is CCCCN(C)C1=CC(C)(C)C=NC=C1.
What is the InChIKey of N-butyl-N,6,6-trimethylazepin-4-amine?
The InChIKey is CIACNODZZLPTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-6-9-15(4)12-7-8-14-11-13(2,3)10-12/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of N-butyl-N,6,6-trimethylazepin-4-amine?
N-butyl-N,6,6-trimethylazepin-4-amine has a molecular weight of 206.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,6,6-trimethylazepin-4-amine is sourced from PubChem (CID 123334554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).